(3alpha,5alpha,6alpha,7beta,16alpha,23alpha)-3,6,7,23-Tetrahydroxy-16,23-Cyclocholestan-15-one
[CAS# 141272-45-9]

Identification

• Name: (3alpha,5alpha,6alpha,7beta,16alpha,23alpha)-3,6,7,23-Tetrahydroxy-16,23-Cyclocholestan-15-one
• Synonyms: Aids-081022; Aids081022; Xestobergsterol A
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 141272-45-9
• SMILES: [C@H]15[C@H](C(=O)[C@H]2[C@@]1(CCC3C2[C@@H](O)[C@H](O)[C@@H]4[C@@]3(CC[C@@H](O)C4)C)C)[C@](O)(C[C@H]5C)CC(C)C
• InChI: 1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16?,17-,18?,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1
• InChIKey: NXIUUQKBFNWMSY-GUYYLKMKSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 584.016°C at 760 mmHg (Cal.)
• Flash point: 321.041°C (Cal.)