ChemSpider 2D Image | (2R,3S,3aR,4aS,4bS,6aS,7R,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,5,6,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano) cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,6a,7d-tetrol | C37H44ClNO7

(2R,3S,3aR,4aS,4bS,6aS,7R,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,5,6,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano) cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,6a,7d-tetrol

  • Molecular FormulaC37H44ClNO7
  • Average mass650.201 Da
  • Monoisotopic mass649.280640 Da
  • ChemSpider ID40256802

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2R,3S,3aR,4aS,4bS,6aS,7R,7dR,8S,9aR,14bS,14cR,16aS)-12-Chlor-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylen-3,3a,5,6,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cy clobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3,4b,6a,7d-tetrol [German] [ACD/IUPAC Name]
(2R,3S,3aR,4aS,4bS,6aS,7R,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,5,6,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano) cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,6a,7d-tetrol [ACD/IUPAC Name]
(2R,3S,3aR,4aS,4bS,6aS,7R,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropényl-14b,14c,17,17-tétraméthyl-10-méthylène-3,3a,5,6,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadécahydro-2H,4bH-7,8-(époxyméthano) cyclobuta[5,6]benzo[1,2-e]oxiréno[4',4a']chroméno[5',6':6,7]indéno[1,2-b]indole-3,4b,6a,7d-tétrol [French] [ACD/IUPAC Name]
2H,6H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-14,15-imine-3,4b,6a,11c(5H)-tetrol, 12-chloro-3,3a,6b,8,8a,9,9a,10,11,15a,15b,16,17,17a-tetradecahydro-8,8,15a,15b-tetramethyl-10-methylene-2-(1-m ethylethenyl)-, (2R,3S,3aR,4aS,4bS,6aS,6bR,8aS,9aR,11cR,15aS,15bR,17aS)- [ACD/Index Name]
19-hydroxypenitrem A

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: 1.713
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6984.31
ACD/KOC (pH 5.5): 19643.32
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6984.28
ACD/KOC (pH 7.4): 19643.23
Polar Surface Area: 128 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

Click to predict properties on the Chemicalize site


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