ChemSpider 2D Image | Geissospermine | C40H48N4O3

Geissospermine

  • Molecular FormulaC40H48N4O3
  • Average mass632.834 Da
  • Monoisotopic mass632.372620 Da
  • ChemSpider ID4444753

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(16R,19E)-19,20-Didehydro-16-[(10b,13b,21b)-23-deoxy-21,22-dihydro-11-oxa-12,14-secostrychnidin-10-yl]corynan-17-oic Acid Methyl Ester
(2R)-[(2R,3E,12bS)-3-Éthylidène-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl][(1R,9S,12S,13S,14S,19S,21S)-14-éthyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicos a-2,4,6-trién-9-yl]acétate de méthyle [French] [ACD/IUPAC Name]
12H-1,12-Ethano-9H,11H-[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazole-9-acetic acid, 14-ethyl-α-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-2,3,11a,11b,13,1 3a-hexahydro-, methyl ester, (αR,3aR,9S,11aS,11bS,12S,13aS,14S)- [ACD/Index Name]
19,20-Didehydro-16-(15-ethyl-3a,5,5a,7,8,13a-hexahydro-4H-4,6-ethano-1H,3H-[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazol-1-yl)corynan-17-oic AcidMethyl Ester
427-01-0 [RN]
b,17-Epoxy-a-(3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindole[2,3-a]quinolizin-2-yl)-curan-1-propanoic Acid Methyl Ester
Geissospermine
Methyl (2R)-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl][(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19] henicosa-2,4,6-trien-9-yl]acetate [ACD/IUPAC Name]
Methyl-(2R)-[(2R,3E,12bS)-3-ethyliden-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-2-yl][(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]h enicosa-2,4,6-trien-9-yl]acetat [German] [ACD/IUPAC Name]
CORYNAN-17-OIC ACID 19,20-DIDEHYDRO-16-((10-SS,13-SS,21-β)-23-DEOXY-21,22-DIHYDRO-11-OXA-12,24-SECOSTRYCHNIDIN-10-YL)-,METHYL ESTER,(16R,19E)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09200 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 63.37
ACD/KOC (pH 7.4): 147.28
Polar Surface Area: 61 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 478.1±5.0 cm3

Click to predict properties on the Chemicalize site


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