Dihydrobetulinic Acid
[CAS# 25488-53-3]

Identification

• Name: Dihydrobetulinic Acid
• Synonyms: Aids005861; (3Beta)-3-Hydroxylupan-28-Oic Acid; Dihydrobetulinic Acid
• Molecular Formula: C₃₀H₅₀O₃
• Molecular Weight: 458.72
• CAS Registry Number: 25488-53-3
• SMILES: [C@@]13([C@@H]([C@@H]2[C@@](CC1)(CC[C@H]2C(C)C)C(=O)O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C)C
• InChI: 1S/C30H50O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
• InChIKey: PZXJOHSZQAEJFE-FZFNOLFKSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 547.462°C at 760 mmHg (Cal.)
• Flash point: 298.958°C (Cal.)