Chem
J-GLOBAL ID：200907024304503625
Nikkaji number：J1.353.755K
24-Methylenecholesterol trans-ferulate
24-メチレンコレステロールtrans-フェルラート
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
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
Molecular formula： C38H54O4
Molecular formula furigana： C38-H54-O4
Molecular weight： 574.846
InChI：
InChI=1S/C38H54O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24,26,29-33,39H,3,8-9,13-15,18-21,23H2,1-2,4-7H3/b17-11+/t26-,29+,30+,31-,32+,33+,37+,38-/m1/s1
InChI key：
IGPSKELKZASQNO-RFKWHCAZSA-N
SMILES：
COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCC(=C)C(C)C)ccc1O
Systematic name (3)：
- 24-メチレンコレステロール(E)-3-(4-ヒドロキシ-3-メトキシフェニル)アクリラート
- (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル (2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
- (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- 24-Methylenecholesterol (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
- 24-メチレンコレステロールtrans-フェルラート
- 24-Methylenecholesterol trans-ferulate
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