2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid

(2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3-diacetyloxy-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

Also Known As: Sid 734806|2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate|2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid|(2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3-diacetyloxy-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|(2|A,3|A,20|A)-2,3-Diacetoxyurs-12-ene-24,28-dioic acid|2alpha,3beta-Bis(acetyloxy)-20beta-urs-12-ene-24,28-dioic acid|Urs-12-ene-23,28-dioic acid, 2,3-bis(acetyloxy)-, (2-alpha,3-beta,4-beta,20-beta)-

Molecular Formula	C34H50O8
Molecular Weight	586.3506 g/mol
LogP	6.2
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	586.3506
Monoisotopic Mass	586.3506
Heavy Atoms	42
Complexity	1220.0

Chemical Identifiers

CAS Number	79679-46-2
SMILES	C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@]5(C)C(=O)O)OC(=O)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChIKey	FPOJHWIUZUDFHZ-ZBEAUVLGSA-N