(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]Spiro[1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,2'-1,3-Dioxolane]
[CAS# 3496-88-6]

Identification

• Name: (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]Spiro[1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,2'-1,3-Dioxolane]
• Synonyms: (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-Spiro[1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,2'-1,3-Dioxolane]; (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,2'-1,3-Dioxolane]; 3,3-Ethylenedioxycholest-5-Ene
• Molecular Formula: C₂₉H₄₈O₂
• Molecular Weight: 428.70
• CAS Registry Number: 3496-88-6
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)CC2(OCCO2)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C29H48O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9,20-21,23-26H,6-8,10-19H2,1-5H3/t21-,23+,24-,25+,26+,27+,28-/m1/s1
• InChIKey: GPAYFLROALHUFV-OKPKYCIKSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 507.692°C at 760 mmHg (Cal.)
• Flash point: 296.017°C (Cal.)