(2R,3R,6R)-2,3-Dihydroxy-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptanoic Acid
[CAS# 1061-64-9]

Identification

• Name: (2R,3R,6R)-2,3-Dihydroxy-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptanoic Acid
• Molecular Formula: C₂₆H₄₄O₅
• Molecular Weight: 436.62
• CAS Registry Number: 1061-64-9
• SMILES: OC(=O)[C@H](O)[C@H](O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
• InChI: 1S/C26H44O5/c1-15(4-9-22(28)23(29)24(30)31)19-7-8-20-18-6-5-16-14-17(27)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-23,27-29H,4-14H2,1-3H3,(H,30,31)/t15-,16-,17-,18+,19-,20+,21+,22-,23-,25+,26-/m1/s1
• InChIKey: NRDKNLGDNLHWHG-IYELHLJQSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 604.677°C at 760 mmHg (Cal.)
• Flash point: 333.522°C (Cal.)
• Refractive index: 1.546 (Cal.)