ChemSpider 2D Image | (2R,3S,3aS,4aR,5R,6aR,7S,8S,14cR)-12-Chloro-2-isopropenyl-5,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,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,7d(5H)-triol | C37H44ClNO6

(2R,3S,3aS,4aR,5R,6aR,7S,8S,14cR)-12-Chloro-2-isopropenyl-5,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,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,7d(5H)-triol

  • Molecular FormulaC37H44ClNO6
  • Average mass634.201 Da
  • Monoisotopic mass633.285706 Da
  • ChemSpider ID4932414

  • defined stereocentres - 8 of 14 defined stereocentres

More details:

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

(2R,3S,3aS,4aR,5R,6aR,7S,8S,14cR)-12-Chlor-2-isopropenyl-5,14c,17,17-tetramethyl-10-methylen-3,3a,6,6a,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]indol-3,4b,7d(5H)-triol [German] [ACD/IUPAC Name]
(2R,3S,3aS,4aR,5R,6aR,7S,8S,14cR)-12-Chloro-2-isopropenyl-5,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,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,7d(5H)-triol [ACD/IUPAC Name]
(2R,3S,3aS,4aR,5R,6aR,7S,8S,14cR)-12-Chloro-2-isopropényl-5,14c,17,17-tétraméthyl-10-méthylène-3,3a,6,6a,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,7d(5H)-triol [French] [ACD/IUPAC Name]
2H,6H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-14,15-imine-3,4b,11c(5H,6aH)-triol, 12-chloro-3,3a,6b,8,8a,9,9a,10,11,15a,15b,16,17,17a-tetradecahydro-5,8,8,15b-tetramethyl-10-methylene-2-(1-met hylethenyl)-, (2R,3S,3aS,4aR,5R,6aR,6bS,8aS,15bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22164.64
ACD/KOC (pH 5.5): 44896.22
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22164.57
ACD/KOC (pH 7.4): 44896.07
Polar Surface Area: 107 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 441.1±5.0 cm3

Click to predict properties on the Chemicalize site


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