Chem
J-GLOBAL ID：200907003286048446   Nikkaji number：J506.048F

Deacetylnimbin

デアセチルニンビン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H34O8
Molecular formula furigana： C28-H34-O8
Molecular weight： 498.572
InChI： InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1
InChI key： CTBHKOAPXBDFPX-PQYHCQQJSA-N
SMILES： COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C23)C)c2ccoc2)[C@H](O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC
Systematic name  (1)：
  • (17α)-7α,15β:21,23-ジエポキシ-6α-ヒドロキシ-4β,8-ジメチル-4α-メトキシカルボニル-1-オキソ-24-ノル-12,13-セコ-5α-コラ-2,13,20,22-テトラエン-12-酸メチル
Other name (3)：
  • デアセチルニンビン
  • Deacetylnimbin
  • (17α)-7α,15β:21,23-Diepoxy-6α-hydroxy-4β,8-dimethyl-4α-methoxycarbonyl-1-oxo-24-nor-12,13-seco-5α-chola-2,13,20,22-tetren-12-oic acid methyl ester
CAS registry number： 18609-16-0
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