(+)-3beta,24-Dihydroxyoleana-12-Ene-28,29-Dioic Acid 29-(3beta-Hydroxy-28-Hydroxy-28-Oxooleana-12-Ene-29-Yl) Ester
[CAS# 96253-65-5]

Identification

• Name: (+)-3beta,24-Dihydroxyoleana-12-Ene-28,29-Dioic Acid 29-(3beta-Hydroxy-28-Hydroxy-28-Oxooleana-12-Ene-29-Yl) Ester
• Synonyms: 2-[(4A-Carboxy-11-Hydroxy-2,6A,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicen-2-Yl)Methoxy-Oxomethyl]-10-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxy
• Molecular Formula: C₆₀H₉₂O₉
• Molecular Weight: 957.38
• CAS Registry Number: 96253-65-5
• SMILES: C(O)C%10(C9C(C1C(C2(C(=CC1)C3C(CC2)(CCC(C3)(C(OCC6(CC5C4=CCC7C(C4(CCC5(CC6)C(=O)O)C)(CCC8C7(CC(O)CC8(C)C)C)C)C)=O)C)C(=O)O)C)(CC9)C)(CCC%10O)C)C
• InChI: 1S/C60H92O9/c1-49(2)30-36(62)31-53(6)41(49)16-20-58(11)44(53)15-13-37-39-32-50(3,22-26-59(39,46(64)65)28-24-55(37,58)8)35-69-48(68)51(4)23-27-60(47(66)67)29-25-56(9)38(40(60)33-51)12-14-43-52(5)19-18-45(63)54(7,34-61)42(52)17-21-57(43,56)10/h12-13,36,39-4
• InChIKey: JXAWRVUDELTQIY-UHFFFAOYSA-N

Properties

• Density: 1.212g/cm³ (Cal.)