Chem
J-GLOBAL ID:200907022583984902
Nikkaji number:J2.005.045D
(7E)-1α,3β,25-Trihydroxy-19-nor-9,10-secocholesta-5,7-diene-2β-acetamide
(7E)-1α,3β,25-トリヒドロキシ-19-ノル-9,10-セココレスタ-5,7-ジエン-2β-アセトアミド
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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:
C28 H47 NO4
Molecular formula furigana:
C28-H47-N-O4
Molecular weight:
461.687
InChI:
InChI=1S/C28H47NO4/c1-18(7-5-13-27(2,3)33)22-11-12-23-20(8-6-14-28(22,23)4)10-9-19-15-24(30)21(17-26(29)32)25(31)16-19/h9-10,18,21-25,30-31,33H,5-8,11-17H2,1-4H3,(H2,29,32)/b19-9-,20-10+/t18-,21?,22-,23+,24-,25-,28-/m1/s1
InChI key:
JBFIASJXKIBZGK-MLTJRMASSA-N
SMILES:
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(CC(=O)N)[C@H](O)C3)/CCC[C@]12C
Systematic name (3):
(7E)-1α,3β,25-トリヒドロキシ-19-ノル-9,10-セココレスタ-5,7-ジエン-2β-アセトアミド
2-[(2R,6R)-4-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-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}-2,6-ジヒドロキシシクロヘキシル]アセトアミド
2-[(2R,6R)-4-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2,6-dihydroxycyclohexyl]acetamide
Other name (1):
(7E)-1α,3β,25-Trihydroxy-19-nor-9,10-secocholesta-5,7-diene-2β-acetamide
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