ChemSpider 2D Image | Fumitremorgin A | C32H41N3O7

Fumitremorgin A

  • Molecular FormulaC32H41N3O7
  • Average mass579.684 Da
  • Monoisotopic mass579.294434 Da
  • ChemSpider ID96882
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5R,10S,10aR,14aS,15bS)-10a-Hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]in deno[5,6-b]fluoren-11,15(2H,13H)-dion [German] [ACD/IUPAC Name]
(5R,10S,10aR,14aS,15bS)-10a-Hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]in deno[5,6-b]fluorene-11,15(2H,13H)-dione [ACD/IUPAC Name]
(5R,10S,10aR,14aS,15bS)-10a-Hydroxy-7-méthoxy-2,2-diméthyl-10-[(3-méthyl-2-butén-1-yl)oxy]-5-(2-méthyl-1-propén-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]in déno[5,6-b]fluorène-11,15(2H,13H)-dione [French] [ACD/IUPAC Name]
(5R,10S,10aR,14aS,15bS)-10a-Hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione
12626-18-5 [RN]
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1- propen-1-yl)-, (5R,10S,10aR,14aS,15bS)- [ACD/Index Name]
5H,12H-3,4-dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-
Fumitremorgin A
(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(H,13H)-dione
5H-12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5R-(5-α,10-α,10a-α,14a-α,15b-α))-
More...

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

ZR1C7949XT [DBID]
UNII:ZR1C7949XT [DBID]
UNII-ZR1C7949XT [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3284.79
ACD/KOC (pH 5.5): 11447.49
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3282.38
ACD/KOC (pH 7.4): 11439.07
Polar Surface Area: 103 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 430.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement