2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate
[CAS# 79679-46-2]

Identification

• Name: 2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate
• Synonyms: (2R,3R,4R,4Ar,6Ar,6Bs,8As,11S,12S,12As,14Ar,14Br)-2,3-Diacetoxy-4,6A,6B,11,12,14B-Hexamethyl-2,3,4A,5,6,7,8,9,10,11,12,12A,14,14A-Tetradecahydro-1H-Picene-4,8A-Dicarboxylic Acid; 2Alpha,3Beta,20Beta-Urs-Delta 12-Ene-23Beta,28-Dioic Acid 2,3-Diacetate; Urs-12-Ene-23,28-Dioic Acid, 2,3-Bis(Acetyloxy)-, (2-Alpha,3-Beta,4-Beta,20-Beta)-
• Molecular Formula: C₃₄H₅₀O₈
• Molecular Weight: 586.76
• CAS Registry Number: 79679-46-2
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1)[C@H]3[C@](CC2)(C(=O)O)CC[C@@H]([C@@H]3C)C)C)(CC[C@@H]5[C@@]4(C[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]5(C(=O)O)C)C)C
• InChI: 1S/C34H50O8/c1-18-11-14-34(29(39)40)16-15-31(6)22(26(34)19(18)2)9-10-24-30(5)17-23(41-20(3)35)27(42-21(4)36)33(8,28(37)38)25(30)12-13-32(24,31)7/h9,18-19,23-27H,10-17H2,1-8H3,(H,37,38)(H,39,40)/t18-,19-,23+,24+,25+,26-,27-,30+,31+,32+,33+,34-/m0/s1
• InChIKey: FPOJHWIUZUDFHZ-ZBEAUVLGSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 666.854°C at 760 mmHg (Cal.)
• Flash point: 202.832°C (Cal.)