Chem
J-GLOBAL ID：201507076942467870   Nikkaji number：J3.334.724C

ADTK-4

(7E,25S)-2-メチレン-26-(1-アダマンチル)-19,27-ジノル-9,10-セココレスタ-5,7-ジエン-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： C36H52O3
Molecular formula furigana： C36-H52-O3
Molecular weight： 532.809
InChI： InChI=1S/C36H52O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h9-10,23,26-28,30-34,37-39H,2,5-7,11-22H2,1,3H3/b29-10+/t23-,26-,27?,28?,30-,31-,32+,33-,34-,35-,36-/m1/s1
InChI key： UFJLHOSCLNTAFF-KQQREDHSSA-N
SMILES： C[C@H](CC#C[C@@H](O)C[C@@]12CC3C[C@@H](CC(C3)C1)C2)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(=C)[C@H](O)C3)/CCC[C@]12C
Systematic name  (3)：
  • (7E,25S)-2-メチレン-26-(1-アダマンチル)-19,27-ジノル-9,10-セココレスタ-5,7-ジエン-23-イン-1α,3β,25-トリオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,6S)-6-ヒドロキシ-7-[(3r)-アダマンタン-1-イル]ヘプタ-4-イン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-2-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,6S)-6-hydroxy-7-[(3r)-adamantan-1-yl]hept-4-yn-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (7E,25S)-2-Methylene-26-(1-adamantyl)-19,27-dinor-9,10-secocholesta-5,7-diene-23-yne-1α,3β,25-triol
  • ADTK-4
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM