ChemSpider 2D Image | (2R,3S,3aS,4aS,4bS,7S,7dS,8S,9aS,14bS,14cR)-3,4b-Dihydroxy-2-isopropenyl-10,14b,14c,17,17-pentamethyl-3,3a,5,6,6a,7d,8,9,9a,10,14,14b,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-11(7H)-one | C37H45NO6

(2R,3S,3aS,4aS,4bS,7S,7dS,8S,9aS,14bS,14cR)-3,4b-Dihydroxy-2-isopropenyl-10,14b,14c,17,17-pentamethyl-3,3a,5,6,6a,7d,8,9,9a,10,14,14b,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-11(7H)-one

  • Molecular FormulaC37H45NO6
  • Average mass599.756 Da
  • Monoisotopic mass599.324707 Da
  • ChemSpider ID10134819

  • defined stereocentres - 10 of 14 defined stereocentres

More details:

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

(2R,3S,3aS,4aS,4bS,7S,7dS,8S,9aS,14bS,14cR)-3,4b-Dihydroxy-2-isopropenyl-10,14b,14c,17,17-pentamethyl-3,3a,5,6,6a,7d,8,9,9a,10,14,14b,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-11(7H)-on [German] [ACD/IUPAC Name]
(2R,3S,3aS,4aS,4bS,7S,7dS,8S,9aS,14bS,14cR)-3,4b-Dihydroxy-2-isopropenyl-10,14b,14c,17,17-pentamethyl-3,3a,5,6,6a,7d,8,9,9a,10,14,14b,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-11(7H)-one [ACD/IUPAC Name]
(2R,3S,3aS,4aS,4bS,7S,7dS,8S,9aS,14bS,14cR)-3,4b-Dihydroxy-2-isopropényl-10,14b,14c,17,17-pentaméthyl-3,3a,5,6,6a,7d,8,9,9a,10,14,14b,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]indol-11(7H)-one [French] [ACD/IUPAC Name]
2H,6H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-14,15-imin-11(8H)-one, 3,3a,4b,5,6a,6b,8a,9,9a,10,11c,15a,15b,16,17,17a-hexadecahydro-3,4b-dihydroxy-8,8,10,15a,15b-pentamethyl-2-(1-methylethenyl )-, (2R,3S,3aS,4aS,4bS,6bS,8aS,9aS,11cS,15aS,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: 1.678
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18952.84
ACD/KOC (pH 5.5): 40137.07
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18952.79
ACD/KOC (pH 7.4): 40136.98
Polar Surface Area: 104 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 434.8±5.0 cm3

Click to predict properties on the Chemicalize site


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