2,3-Secocholestane-2,3-Diol
[CAS# 14124-56-2]

Identification

• Name: 2,3-Secocholestane-2,3-Diol
• Synonyms: 2-[(3R,3Ar,5As,6S,7S,9Ar,9Bs)-3-[(1R)-1,5-Dimethylhexyl]-7-(2-Hydroxyethyl)-3A,6-Dimethyl-2,3,4,5,5A,7,8,9,9A,9B-Decahydro-1H-Cyclopenta[F]Naphthalen-6-Yl]Ethanol; 2,3-Scd; 2,3-Secocholestane-2,3-Diol
• Molecular Formula: C₂₇H₅₀O₂
• Molecular Weight: 406.69
• CAS Registry Number: 14124-56-2
• SMILES: [C@@H]3([C@@H](CCCC(C)C)C)[C@@]2([C@H]([C@@H]1CC[C@@H](CCO)[C@](CCO)([C@H]1CC2)C)CC3)C
• InChI: 1S/C27H50O2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(14-17-28)26(4,16-18-29)25(22)13-15-27(23,24)5/h19-25,28-29H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: MYDRWTVVYQCTQX-CJPSHIORSA-N

Properties

• Density: 0.944g/cm³ (Cal.)
• Boiling point: 500.766°C at 760 mmHg (Cal.)
• Flash point: 203.425°C (Cal.)