Olean-12-Ene-3b,6b-Diol
[CAS# 41498-79-7]

Identification

• Name: Olean-12-Ene-3b,6b-Diol
• Synonyms: Daturadiol; Olean-12-Ene-3,6-Diol, (3Beta,6Beta)-
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 41498-79-7
• SMILES: [C@@]13([C@]5(C(=CC[C@@H]1[C@]2(CC[C@@H](C([C@@H]2[C@@H](C3)O)(C)C)O)C)[C@@H]4CC(C)(C)CC[C@@]4(CC5)C)C)C
• InChI: 1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1
• InChIKey: JYNBNJRQZZSLPN-NYVWVNPOSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 520.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 210.0±24.7°C (Cal.)