(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-Dihydroxyethyl]-3,17-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-11-One
[CAS# 667-66-3]

Identification

• Name: (3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-Dihydroxyethyl]-3,17-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-11-One
• Synonyms: Nsc56997
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 667-66-3
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C(C1)=O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4([C@@H](CO)O)O
• InChI: 1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17-,18-,19+,20+,21+/m1/s1
• InChIKey: JXCOSKURGJMQSG-AIEJOZITSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 564.075°C at 760 mmHg (Cal.)
• Flash point: 308.994°C (Cal.)