PFAS
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熊果酸苄酯
Ursonic acid benzyl ester
3-氧代乌苏-12-烯-28-酸苄酯, (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-benzyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate, benzyl ursonate, benzyl 3-oxours-12-en-28-oate, (4aS,6aS,6bR,12aR)-benzyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate, benzyl-3-oxours-12-en-28-oic acid, 3-Oxo-urs-12-en-28-oic acid phenylmethyl ester, (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-benzyl 10-oxo-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CAS号: 869788-71-6
IUPAC名称: benzyl (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
分子式: C37H52O3
分子量: 544.80700
InChI: InChI=1S/C37H52O3/c1-24-15-20-37(32(39)40-23-26-11-9-8-10-12-26)22-21-35(6)27(31(37)25(24)2)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-13,24-25,28-29,31H,14-23H2,1-7H3/t24-,25+,28+,29-,31+,34+,35-,36-,37+/m1/s1
InChIKey: FWQDCWBJBULHJA-NOFISSAHSA-N
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)OCC6=CC=CC=C6
EINECS: -
