3beta,20,25-Trihydroxy-16-Oxo-5alpha-Lanost-9(11)-En-18-Oic Acid gamma-Lactone
[CAS# 23519-00-8]

Identification

• Name: 3beta,20,25-Trihydroxy-16-Oxo-5alpha-Lanost-9(11)-En-18-Oic Acid gamma-Lactone
• Synonyms: Holotoxinogenin
• Molecular Formula: C₃₀H₄₆O₅
• Molecular Weight: 486.69
• CAS Registry Number: 23519-00-8
• SMILES: [C@@]23(C1([C@@H]([C@@](OC1=O)(CCCC(O)(C)C)C)C(=O)C2)CC=C4[C@H]3CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C
• InChI: 1S/C30H46O5/c1-25(2,34)13-8-14-29(7)23-20(31)17-28(6)19-9-10-21-26(3,4)22(32)12-15-27(21,5)18(19)11-16-30(23,28)24(33)35-29/h11,19,21-23,32,34H,8-10,12-17H2,1-7H3/t19-,21+,22+,23-,27-,28+,29+,30?/m1/s1
• InChIKey: PBZQXALARREWJZ-TWRYVWJHSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 629.308°C at 760 mmHg (Cal.)
• Flash point: 200.034°C (Cal.)