Chem
J-GLOBAL ID：200907027061138060   Nikkaji number：J618.996B

(22R,23R)-23-Phenyl-2α,3α,22,23-tetrahydroxy-7-oxa-B-homo-24-nor-5α-cholan-6-one

(22R,23R)-23-フェニル-2α,3α,22,23-テトラヒドロキシ-7-オキサ-B-ホモ-24-ノル-5α-コラン-6-オン
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： C29H42O6
Molecular formula furigana： C29-H42-O6
Molecular weight： 486.649
InChI： InChI=1S/C29H42O6/c1-16(25(32)26(33)17-7-5-4-6-8-17)19-9-10-20-18-15-35-27(34)22-13-23(30)24(31)14-29(22,3)21(18)11-12-28(19,20)2/h4-8,16,18-26,30-33H,9-15H2,1-3H3/t16-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1
InChI key： RJMUSUVJXDQGBB-REUCOJPJSA-N
SMILES： C[C@H]([C@@H](O)[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,23R)-23-フェニル-2α,3α,22,23-テトラヒドロキシ-7-オキサ-B-ホモ-24-ノル-5α-コラン-6-オン
  • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R)-3,4-ジヒドロキシ-4-フェニルブタン-2-イル]-4,5-ジヒドロキシ-2,16-ジメチル-9-オキサテトラシクロ[9.7.0.02,7.012,16]オクタデカン-8-オン
  • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R)-3,4-dihydroxy-4-phenylbutan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Other name (1)：
  • (22R,23R)-23-Phenyl-2α,3α,22,23-tetrahydroxy-7-oxa-B-homo-24-nor-5α-cholan-6-one
Thsaurus map：
Thesaurus Map

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