ChemSpider 2D Image | (1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,4',5,5',5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-fur an]-3(4H)-one | C24H32O3

(1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,4',5,5',5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-fur an]-3(4H)-one

  • Molecular FormulaC24H32O3
  • Average mass368.509 Da
  • Monoisotopic mass368.235138 Da
  • ChemSpider ID31046555

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,4',5,5',5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-fur an]-3(4H)-one [ACD/IUPAC Name]
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(3'H)-furan]-3(4H)-one, 1,1a,4',5,5',5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-5'-hydroxy-5a,7a-dimethyl-, (1aR,5aR,5bS,7aS,8S, 8aS,9aS,9bS,9cR,9dR)- [ACD/Index Name]
(1aR,5aR,7aS,8S,8aS,9aS,9bS,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydrospiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-oxolan]-3(4H)-one
5???-Hydroxy Drospirenone
5'-Hydroxy Drospirenone
6β,7β
863329-71-9 [RN]
missing

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 184.7±23.6 °C
Index of Refraction: 1.618
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.21
ACD/KOC (pH 5.5): 1246.00
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.21
ACD/KOC (pH 7.4): 1246.00
Polar Surface Area: 47 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 290.5±5.0 cm3

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