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环克索龙
Cicloxolone
Cicloxolonum, Cicloxolona [INN-Spanish], Cicloxolonum [INN-Latin], Cicloxolona, Cicloxolone, UNII-3F85I03NLO
CAS号: 52247-86-6
IUPAC名称: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
分子式: C38H56O7
分子量: 624.84700
InChI: InChI=1S/C38H56O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22?,23?,25-,27-,28-,29+,34+,35-,36-,37+,38+/m0/s1
InChIKey: IPIHZIYZLLMCRF-ZTDUETTNSA-N
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6CCCCC6C(=O)O)C)(C)C(=O)O
EINECS: -
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