FCMD
Food Contact Materials Database
Acetylursolic acid
(3β)-3-Acetoxyurs-12-en-28-oic acid, Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3β)-, (3β,5ξ)-3-Acetyl-3-hydroxyurs-12-en-28-oic acid, Urs-12-en-28-oic acid, 3-acetyl-3-hydroxy-, (3β,5ξ)-, Acetylursolic acid, (3β)-3-(acetyloxy)urs-12-en-28-oic acid, O-acetylursolic acid, Ursolic acid acetate
CAS Number: 7372-30-7
IUPAC name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular formula: C32H50O4
Molecular weight: 498.737
InChI: InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey: PHFUCJXOLZAQNH-OTMOLZNZSA-N
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
EINECS: -
