Found 1 result

Search term: 30790760 (Found by CSID)
ChemSpider 2D Image | (2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-Dihydroxy-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']chromeno[5',6':6,7]indeno[1,2-b]indol-12(7H)-one | C37H49NO7

(2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-Dihydroxy-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']chromeno[5',6':6,7]indeno[1,2-b]indol-12(7H)-one

  • Molecular FormulaC37H49NO7
  • Average mass619.787 Da
  • Monoisotopic mass619.350891 Da
  • ChemSpider ID30790760

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-Dihydroxy-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']chromeno[5',6':6,7]indeno[1,2-b]indol-12(7H)-on [German] [ACD/IUPAC Name]
(2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-Dihydroxy-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']chromeno[5',6':6,7]indeno[1,2-b]indol-12(7H)-one [ACD/IUPAC Name]
(2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-Dihydroxy-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']chroméno[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-3,4b-dihydroxy-2-(1-hydroxy-1-methylethyl) -9,9,11,11,15b,15c-hexamethyl-, (2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)- [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: 1.661
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11540.01
ACD/KOC (pH 5.5): 28139.48
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11540.00
ACD/KOC (pH 7.4): 28139.45
Polar Surface Area: 125 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 454.7±5.0 cm3

Click to predict properties on the Chemicalize site


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