ChemSpider 2D Image | Deserpidine | C32H38N2O8

Deserpidine

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID8232
  • defined stereocentres - 6 of 6 defined stereocentres


More details:



Featured data source



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

(1S,2R,3R,4aS,13bR,14aS)-2-méthoxy-3-{[(3,4,5-triméthoxyphényl)carbonyl]oxy}-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)-17-Methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-3,20-yohimban-16-carboxylic Acid Methyl Ester
(3β,16β,17α,18β,20α)-17-Méthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
11-desmethoxyreserpine
131-01-1 [RN]
17a-Methoxy-18b-[(3,4,5-trimethoxybenzoyl)oxy]-3b,20a-yohimban-16b-carboxylic Acid Methyl Ester
17α-Methoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]-3β,20α-yohimban-16β-carboxylic acid methyl ester
205-004-8 [EINECS]
656
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A 11025 [DBID]
A-11025 [DBID]
AIDS002668 [DBID]
AIDS-002668 [DBID]
BRN 0101820 [DBID]
C06541 [DBID]
Lilly 22641 [DBID]
NSC 72138 [DBID]
NSC72138 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 33.00
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 312.68
ACD/KOC (pH 7.4): 1560.00
Polar Surface Area: 109 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

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