ChemSpider 2D Image | (2S,3aR,4aR,4bS,15bS,17aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-3,3a,5,6,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-2H,4bH-[2]benzofuro[5,6-e]oxireno[4',4a']chrome no[5',6':6,7]indeno[1,2-b]indol-12(7H)-one | C37H49NO6

(2S,3aR,4aR,4bS,15bS,17aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-3,3a,5,6,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-2H,4bH-[2]benzofuro[5,6-e]oxireno[4',4a']chrome no[5',6':6,7]indeno[1,2-b]indol-12(7H)-one

  • Molecular FormulaC37H49NO6
  • Average mass603.788 Da
  • Monoisotopic mass603.356018 Da
  • ChemSpider ID9752781

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(2S,3aR,4aR,4bS,15bS,17aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-3,3a,5,6,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-2H,4bH-[2]benzofuro[5,6-e]oxireno[4',4a']chrome no[5',6':6,7]indeno[1,2-b]indol-12(7H)-on [German] [ACD/IUPAC Name]
(2S,3aR,4aR,4bS,15bS,17aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-3,3a,5,6,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-2H,4bH-[2]benzofuro[5,6-e]oxireno[4',4a']chrome no[5',6':6,7]indeno[1,2-b]indol-12(7H)-one [ACD/IUPAC Name]
(2S,3aR,4aR,4bS,15bS,17aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexaméthyl-3,3a,5,6,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadécahydro-2H,4bH-[2]benzofuro[5,6-e]oxiréno[4',4a']chromé no[5',6':6,7]indéno[1,2-b]indol-12(7H)-one [French] [ACD/IUPAC Name]
2H,6H-Isobenzofuro[5,6-e]oxireno[4',4a']-1-benzopyrano[5',6':6,7]indeno[1,2-b]indol-12(7H)-one, 3,3a,4b,5,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9 ,11,11,15b,15c-hexamethyl-, (2S,3aR,4aR,4bS,15bS,17aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12697.22
ACD/KOC (pH 5.5): 30131.69
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12697.22
ACD/KOC (pH 7.4): 30131.69
Polar Surface Area: 104 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 456.9±5.0 cm3

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