ChemSpider 2D Image | (7R,8R,9S,13S,14S,17R)-17-Ethynyl-7,13-dimethyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol | C23H32O3

(7R,8R,9S,13S,14S,17R)-17-Ethynyl-7,13-dimethyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID31047278

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7R,8R,9S,13S,14S,17R)-17-Ethynyl-7,13-dimethyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol, 17-ethynyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-7,13-dimethyl-, (7R,8R,9S,13S,14S,17R)- [ACD/Index Name]
(7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
677299-58-0 [RN]
PUBCHEM_71752567
Tibolone 3-ethylene ketal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 242.7±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1601.07
ACD/KOC (pH 5.5): 6844.09
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1601.07
ACD/KOC (pH 7.4): 6844.08
Polar Surface Area: 39 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

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