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syrosingopine

Molecular FormulaC₃₅H₄₂N₂O₁₁
Average mass666.715 Da
Monoisotopic mass666.278870 Da
ChemSpider ID6511

- 6 of 6 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,3R,4aS,13bR,14aS)-3-({4-[(éthoxycarbonyl)oxy]-3,5-diméthoxybenzoyl}oxy)-2,11-diméthoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodécahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoléine-1-carboxylate de méthyle

(3b,16b,17a,18b,20a)-18-[[4-[(Ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11,17-dimethoxyyohimban-16-carboxylic Acid Methyl Ester

(3β,16β,17α,18β,20α)-18-({4-[(Éthoxycarbonyl)oxy]-3,5-diméthoxybenzoyl}oxy)-11,17-diméthoxyyohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]

201-527-0 [EINECS]

84-36-6 [RN]

Carbethoxysyringoyl Methyl Reserpate

HF 41T

Isotense [Trade name]

Londomin [Trade name]

Methyl (1S,2R,3R,4aS,13bR,14aS)-3-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-2,11-dimethoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate

More...

methyl (3β,16β,17α,18β,20α)-18-({[4-{[(ethyloxy)carbonyl]oxy}-3,5-bis(methyloxy)phenyl]carbonyl}oxy)-11,17-bis(methyloxy)yohimban-16-carboxylate

Methyl (3β,16β,17α,18β,20α)-18-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17-dimethoxyyohimban-16-carboxylate [ACD/IUPAC Name]

methyl (3β,16β,17α,18β,20α)-18-[({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxyphenyl}carbonyl)oxy]-11,17-dimethoxyyohimban-16-carboxylate

Methyl carbethoxysyringoyl reserpate

Methyl-(1S,2R,3R,4aS,13bR,14aS)-3-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-2,11-dimethoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isochinolin-1-carboxylat

Methyl-(3β,16β,17α,18β,20α)-18-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17-dimethoxyjohimban-16-carboxylat [German] [ACD/IUPAC Name]

Methyl-(3β,16β,17α,18β,20α)-18-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17-dimethoxyyohimban-16-carboxylat

Methyl-O-(O'-Carbethoxysyringoyl)reserpate

PPG46JF0EG

Raunova [Trade name]

Siringina [Trade name]

sirosingopina [Spanish] [INN]

syrosingopine [BAN] [INN] [JAN]

syrosingopine [French] [INN]

Syrosingopinum [Latin] [INN]

Yohimban-16-carboxylic acid, 18-[[4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]

сирозингопин [Russian] [INN]

سيروسينغوبين [Arabic] [INN]

昔罗舍平 [Chinese] [INN]

(1R,15S,17R,18R,19S,20S)-17-[(4-ethoxycarbonyloxy-3,5-dimethoxyphenyl)-oxomethoxy]-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester

[84-36-6] [RN]

18-O-(3,5-Dimethoxy-4-ethoxycarbonyloxybenzoyl)eserpsaeuremethylester

3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester)

3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester) (8CI)

3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, ester with 4-hydroxy-3,5-dimethoxybenzoic acid ethyl carbonate

Benzoic acid, 4-hydroxy-3,5-dimethoxy-, ethyl carbonate, ester with methyl reserpate

BPBio1_000384

BSPBio_000348

Carbethoxysyringoyl methylreserpate

EINECS 201-527-0

Elufinesin

Etropres

HF-41T

Ipores

Menatensina

methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Methyl 18-O-(4-ethoxycarbonyloxy-3,5-dimethoxybenzyoyl)reserpat

Methyl 18β-(4-(ethoxycarbonyloxy)-3,5-dimethoxybenzoyloxy)-11,17α-dimethoxy-3β,20α-yohimban-16β-carboxylat

Methyl 18β-hydroxy-11,17α-dimethoxy-3β,20α-yohimban-16β-carboxylate 4-hydroxy

Methyl reserpate ester of syringic acid ethyl carbonate

Methyl reserpate, 4-ethoxycarbonyl-3,5-dimethoxybenzoic acid ester

MFCD00017411

Neoreserpan

Nichiserpine-S

Novoserpina

Prestwick3_000564

pSiringal

Reserpic acid, methyl ester, ester with 4-hydroxy-3,5-dimethoxybenzoic acid ethyl carbonate

Revelox-wirkstoff

Seringina

Serpagon

Singoser

Singoserp

Siringal

Siringina (TN)

Siringone

Siriserpin

Siroshuten

sirosingopina

Sirosingopina [INN-Spanish]

Syringic acid ethyl carbonate ester with methyl reserpate

Syringopine

Syrosingopin

syrosingopinum

Syrosingopinum [INN-Latin]

UNII:PPG46JF0EG

UNII-PPG46JF0EG

Vegaserpina

WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 EO1 DOVO2& TO1 UVO1

Yohimban-16-carboxylic acid, 18-((4-((ethoxycabonyl)oxy)-3,5-dimethoxybenzoyl)oxy)-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-

Yohimban-16-carboxylic acid, 18-[[4-[ (ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11, 17-dimethoxy-, methyl ester, (3β,16β,17α,18β, 20α)-

Yohimban-16-carboxylic acid, 18-[[4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-

Yohimban-16-carboxylicacid, 18-[[4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11,17-dimethoxy-,methyl ester, (3b,16b,17a,18b,20a)-

Zentos

сирозингопин

سيروسينغوبين

昔罗舍平

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

849 [DBID]

D01659 [DBID]

NSC 77030 [DBID]

NSC77030 [DBID]

Prestwick_457 [DBID]

SU 3118 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:	795.0±60.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization:	115.6±3.0 kJ/mol
Flash Point:	434.6±32.9 °C
Index of Refraction:	1.615
Molar Refractivity:	172.1±0.4 cm³
#H bond acceptors:	13
#H bond donors:	1
#Freely Rotating Bonds:	13
#Rule of 5 Violations:	2

ACD/LogP:	3.51
ACD/LogD (pH 5.5):	2.50
ACD/BCF (pH 5.5):	17.88
ACD/KOC (pH 5.5):	88.39
ACD/LogD (pH 7.4):	4.00
ACD/BCF (pH 7.4):	567.25
ACD/KOC (pH 7.4):	2804.48
Polar Surface Area:	144 Å²
Polarizability:	68.2±0.5 10^-24cm³
Surface Tension:	61.5±5.0 dyne/cm
Molar Volume:	492.8±5.0 cm³

Click to predict properties on the Chemicalize site

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syrosingopine

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Experimental Melting Point:

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