2beta,3beta,14alpha-Trihydroxy-5beta-Cholesta-7-Ene-6-One
[CAS# 7698-69-3]

Identification

• Name: 2beta,3beta,14alpha-Trihydroxy-5beta-Cholesta-7-Ene-6-One
• Synonyms: (2S,3R,5R,9R,10R,13R)-17-[(1R)-1,5-Dimethylhexyl]-2,3,14-Trihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2Beta,3Beta,5Beta)-2,3,14-Trihydroxycholest-7-En-6-One; Cholest-7-En-6-One, 2,3,14-Trihydroxy-, (2Beta,3Beta,5Beta)-
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 7698-69-3
• SMILES: [C@@H]13[C@@]4([C@H](C(=O)C=C1C2(O)[C@@](C(CC2)[C@@H](CCCC(C)C)C)(CC3)C)C[C@@H](O)[C@@H](O)C4)C
• InChI: 1S/C27H44O4/c1-16(2)7-6-8-17(3)18-10-12-27(31)20-13-22(28)21-14-23(29)24(30)15-25(21,4)19(20)9-11-26(18,27)5/h13,16-19,21,23-24,29-31H,6-12,14-15H2,1-5H3/t17-,18?,19+,21+,23-,24+,25-,26-,27?/m1/s1
• InChIKey: QPGHAYOKHPQLQO-URBQYPNTSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 563.686°C at 760 mmHg (Cal.)
• Flash point: 308.759°C (Cal.)