NCS
中国新化学物质查询
乌宋酸甲酯(methyl ursolate)
Einecs 250-953-3, Urs-12-en-28-oic acid, 3β-hydroxy-, methyl ester, Ursolic acid methyl ester, Methyl (3β)-3-hydroxyurs-12-en-28-oate, methyl ursolate, Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3β)-, 3β-Hydroxy-urs-12-en-28-oic acid methyl ester, methyl 3beta-hydroxyurs-12-en-28-oate
CAS号: 32208-45-0
IUPAC名称: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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-carboxylate
分子式: C31H50O3
分子量: 470.727
InChI: InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
InChIKey: YCBSMEKEDOHEQI-QHQGJMPNSA-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)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC
EINECS: -
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