ChemSpider 2D Image | (2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chloro-1,1,13b,13c,17,17-hexamethyl-9-methylene-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadecahydro-3bH-6,7-(epoxymethano)cyclobuta
[5,6]benzo[1,2-e]oxeto[3'',2'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3b,6d(4H)-diol | C37H44ClNO6

(2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chloro-1,1,13b,13c,17,17-hexamethyl-9-methylene-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadecahydro-3bH-6,7-(epoxymethano)cyclobuta [5,6]benzo[1,2-e]oxeto[3'',2'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3b,6d(4H)-diol

  • Molecular FormulaC37H44ClNO6
  • Average mass634.201 Da
  • Monoisotopic mass633.285706 Da
  • ChemSpider ID29814363
  • defined stereocentres - 12 of 13 defined stereocentres


More details:






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

(2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chlor-1,1,13b,13c,17,17-hexamethyl-9-methylen-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadecahydro-3bH-6,7-(epoxymethano)cyclobuta[5 ,6]benzo[1,2-e]oxeto[3'',2'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3b,6d(4H)-diol [German] [ACD/IUPAC Name]
(2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chloro-1,1,13b,13c,17,17-hexamethyl-9-methylene-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadecahydro-3bH-6,7-(epoxymethano)cyclobuta [5,6]benzo[1,2-e]oxeto[3'',2'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3b,6d(4H)-diol [ACD/IUPAC Name]
(2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chloro-1,1,13b,13c,17,17-hexaméthyl-9-méthylène-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadécahydro-3bH-6,7-(époxyméthano)cyclobuta [5,6]benzo[1,2-e]oxéto[3'',2'':2',3']oxiréno[4',4a']chroméno[5',6':6,7]indéno[1,2-b]indole-3b,6d(4H)-diol [French] [ACD/IUPAC Name]
5H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-13,14-imine-3b,10c(4H,5aH)-diol, 11-chloro-1,2a,2b,5b,7,7a,8,8a,9,10,14a,14b,15,16,16a,17a-hexadecahydro-1,1,7,7,14a,14b-hexamethyl-9-methylene-, (2a S,2bR,3aS,3bS,5bS,7aS,8aR,10cR,14aS,14bR,16aS,17aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17060.43
ACD/KOC (pH 5.5): 37225.93
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17060.41
ACD/KOC (pH 7.4): 37225.89
Polar Surface Area: 96 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

Click to predict properties on the Chemicalize site






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