Chem
J-GLOBAL ID：200907035247464660   Nikkaji number：J912.775E

26,27-Dimethyl-9,10-seco-28-norergosta-5,7,10(19),16-tetren-23-yne-1α,3β,25-triol

26,27-ジメチル-9,10-セコ-28-ノルエルゴスタ-5,7,10(19),16-テトラエン-23-イン-1α,3β,25-トリオール
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： C29H42O3
Molecular formula furigana： C29-H42-O3
Molecular weight： 438.652
InChI： InChI=1S/C29H42O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-14,20,24,26-27,30-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/t20-,24-,26+,27+,28-/m1/s1
InChI key： UTNNFBHFKLBJDW-JWFIUXRNSA-N
SMILES： CCC(O)(CC)C#CC[C@@H](C)C1=CC[C@H]2C(=CC=C3C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C
Systematic name  (3)：
  • 26,27-ジメチル-9,10-セコ-28-ノルエルゴスタ-5,7,10(19),16-テトラエン-23-イン-1α,3β,25-トリオール
  • (1R,3S)-5-{2-[(3aS,7aS)-3-[(2R)-6-エチル-6-ヒドロキシオクタ-4-イン-2-イル]-3a-メチル-3a,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-7-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3S)-5-{2-[(3aS,7aS)-3-[(2R)-6-ethyl-6-hydroxyoct-4-yn-2-yl]-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-7-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • 26,27-Dimethyl-9,10-seco-28-norergosta-5,7,10(19),16-tetren-23-yne-1α,3β,25-triol
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