11-Ketotigogenin
[CAS# 4802-74-8]

Identification

• Name: 11-Ketotigogenin
• Synonyms: 5Alpha-Spirostan-11-One, 3Beta-Hydroxy-, (25R)-; Nsc74511; Nsc 74511
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 4802-74-8
• SMILES: [C@H]34[C@@]([C@@H]2[C@@H](O[C@@]1(OC[C@@H](CC1)C)[C@H]2C)C3)(CC(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@H](O)C6)C)C
• InChI: 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)23-22(31-27)12-20-19-6-5-17-11-18(28)8-9-25(17,3)24(19)21(29)13-26(20,23)4/h15-20,22-24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20+,22+,23+,24-,25+,26+,27-/m1/s1
• InChIKey: QVZULXNXCIFMTL-IXCVKQQLSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 548.924°C at 760 mmHg (Cal.)
• Flash point: 177.82°C (Cal.)