(3S,7R,8R,9R,10S,13R,14R,17R)-10-(Hydroxymethyl)-13-Methyl-17-[(2R)-6- Methyl-5-Methylidene-Heptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
[CAS# 61737-96-0]

Identification

• Name: (3S,7R,8R,9R,10S,13R,14R,17R)-10-(Hydroxymethyl)-13-Methyl-17-[(2R)-6- Methyl-5-Methylidene-Heptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• Synonyms: (3S,7R,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-10-(Hydroxymethyl)-13-Methyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7R,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-10-(Hydroxymethyl)-13-Methyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7R,8R,9R,10S,13R,14R,17R)-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-13-Methyl-10-Methylol-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 61737-96-0
• SMILES: [C@@H]13[C@H]([C@@]2(C(=C[C@@H]1O)C[C@@H](O)CC2)CO)CC[C@]4([C@@H]3CC[C@@H]4[C@@H](CCC(C(C)C)=C)C)C
• InChI: 1S/C28H46O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-26,29-31H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23-,24-,25+,26-,27-,28-/m1/s1
• InChIKey: ASVPJZYKMFULLZ-MSCHIYEMSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 563.793°C at 760 mmHg (Cal.)
• Flash point: 236.021°C (Cal.)