(3beta,5alpha,6alpha,23R,25S)-Spirostan-3,6,23-Triol
[CAS# 76094-30-9]

Identification

• Name: (3beta,5alpha,6alpha,23R,25S)-Spirostan-3,6,23-Triol
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 76094-30-9
• SMILES: [C@@H]1(CC[C@]4([C@H](C1)[C@H](C[C@H]5[C@@H]3C[C@@H]2O[C@]6([C@H]([C@@H]2[C@@]3(C)CC[C@H]45)C)OC[C@H](C[C@H]6O)C)O)C)O
• InChI: 1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-,25+,26-,27-/m0/s1
• InChIKey: GDFVLFBHNREYBP-ZSHNAYFSSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 592.785°C at 760 mmHg (Cal.)
• Flash point: 312.305°C (Cal.)