ChemSpider 2D Image | (13beta,18alpha)-18-[(1R,12S,13R,14E,19S,21S)-14-(2-Hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1~1,8~.0~2,7~.0~12,21~.0~16,19~]henicosa-2,4,6,10-tetraen-10-yl]strychnidin-10-one | C42H42N4O4

(13β,18α)-18-[(1R,12S,13R,14E,19S,21S)-14-(2-Hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,10-tetraen-10-yl]strychnidin-10-one

  • Molecular FormulaC42H42N4O4
  • Average mass666.807 Da
  • Monoisotopic mass666.320618 Da
  • ChemSpider ID23327488

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(13β,18α)-18-[(1R,12S,13R,14E,19S,21S)-14-(2-Hydroxyethyliden)-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,10-tetraen-10-yl]strychnidin-10-on [German] [ACD/IUPAC Name]
(13β,18α)-18-[(1R,12S,13R,14E,19S,21S)-14-(2-Hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,10-tetraen-10-yl]strychnidin-10-one [ACD/IUPAC Name]
(13β,18α)-18-[(1R,12S,13R,14E,19S,21S)-14-(2-Hydroxyéthylidène)-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosa-2,4,6,10-tétraén-10-yl]strychnidin-10-one [French] [ACD/IUPAC Name]
Strychnidin-10-one, 18-[(3aR,11aS,11bS,12R,13aS,14E)-2,3,11a,11b,13,13a-hexahydro-14-(2-hydroxyethylidene)-9-oxo-12H-1,12-ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]-, (13β,18α)- [ACD/Index Name]
(13β,18α)-18-[(3aR,11aS,11bS,12R,13aS,14E)-14-(2-hydroxyethylidene)-9-oxo-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]strychnidin-10-one
(1R,11S,18S,20R,21S,22S,24R)-24-[(1R,12S,13R,14E,19S,21S)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-10-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one
strychnogucine B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.796
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 60.01
Polar Surface Area: 77 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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