Chem
J-GLOBAL ID：200907014419565629   Nikkaji number：J503.653D

Nimbandiol

ニンバンジオール
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： C26H32O7
Molecular formula furigana： C26-H32-O7
Molecular weight： 456.535
InChI： InChI=1S/C26H32O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)26(4)17(11-19(28)31-5)25(3)18(27)6-8-24(2,30)22(25)21(29)23(26)33-16/h6-9,12,15-17,21-23,29-30H,10-11H2,1-5H3/t15-,16+,17-,21-,22+,23-,24-,25+,26-/m1/s1
InChI key： PFQPGZDVNHHXLR-XWNRUULXSA-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)(O)C=CC(=O)[C@]12C
Systematic name  (4)：
  • (17α)-7α,15α:21,23-ジエポキシ-4α,6α-ジヒドロキシ-4β,8-ジメチル-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
  • (17α)-7α,15α:21,23-ジエポキシ-4α,6α-ジヒドロキシ-4,8-ジメチル-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
  • メチル 2-[(1S,2R,3S,4R,8R,9S,10R,13R,15S)-13-(フラン-3-イル)-2,4-ジヒドロキシ-4,8,10,12-テトラメチル-7-オキソ-16-オキサテトラシクロ[8.6.0.03,8.011,15]ヘキサデカ-5,11-ジエン-9-イル]アセタート
  • methyl 2-[(1S,2R,3S,4R,8R,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetate
Other name (4)：
  • ニンバンジオール
  • Nimbandiol
  • (17α)-7α,15α:21,23-Diepoxy-4α,6α-dihydroxy-4,8-dimethyl-1-oxo-24-nor-12,13-seco-5α-chola-2,13,20,22-tetren-12-oic acid methyl ester
  • (17α)-7α,15α:21,23-Diepoxy-4α,6α-dihydroxy-4β,8-dimethyl-1-oxo-24-nor-12,13-seco-5α-chola-2,13,20,22-tetren-12-oic acid methyl ester
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