21-Hydroxyfriedelan-3-One
[CAS# 59995-80-1]

Identification

• Name: 21-Hydroxyfriedelan-3-One
• Synonyms: 21-Hydroxyfriedelan-3-One; 21Alpha-Hydroxyfriedelan-3-One; D:A-Friedooleanan-3-One, 21-Hydroxy-, (21Alpha)-
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 59995-80-1
• SMILES: [C@@]24([C@@]([C@H]1CC[C@]3([C@H]([C@@]1(CC2)C)CCC(=O)[C@@H]3C)C)(CC[C@@]5([C@H]4CC([C@H](O)C5)(C)C)C)C)C
• InChI: 1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)14-16-30(8)23-17-25(2,3)24(32)18-26(23,4)13-15-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26-,27+,28-,29+,30-/m0/s1
• InChIKey: VLNRAGRUEHHINT-ZXNIMFAASA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 509.985°C at 760 mmHg (Cal.)
• Flash point: 215.839°C (Cal.)