ChemSpider 2D Image | (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol | C24H34O4

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID28941456

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxy-1-propin-1-yl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-1b,3,8-triol [German] [ACD/IUPAC Name]
(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxy-1-propyn-1-yl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol [ACD/IUPAC Name]
(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxy-1-propyn-1-yl)-5a,7a-diméthyloctadécahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phénanthrène-1b,3,8-triol [French] [ACD/IUPAC Name]
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
1bH-Cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol, octadecahydro-8-(3-hydroxy-1-propyn-1-yl)-5a,7a-dimethyl-, (1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)- [ACD/Index Name]
21a-homo-6α,7α,15α,16α-Tetrahydro-bis-3'H-cyclopropa[1',2':6,7;1'',2'':15,16]-5β,17α-pregn-20-yne-3β,5,17,21a-tetrol
82543-17-7 [RN]
L G6 D3 C6 B653TJ GQ IQ L1 P1 QQ Q1UU2Q &&stereoisomer [WLN]
17-(3-Hydroxy-1-propynyl)-6??,7??:15??,16??-dimethyleneandrostane-3??,5??,17??-triol
17-(3-Hydroxy-1-propynyl)-6b,7b:15b,16b-dimethyleneandrostane-3b,5b,17b-triol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 255.1±24.7 °C
Index of Refraction: 1.647
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.69
ACD/KOC (pH 5.5): 325.15
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.69
ACD/KOC (pH 7.4): 325.14
Polar Surface Area: 81 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 288.8±5.0 cm3

Click to predict properties on the Chemicalize site


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