Chem
J-GLOBAL ID：200907056747405781   Nikkaji number：J1.151.024H

4,4-Dimethylergost-3-ol 3-(4-hydroxy-3-methoxyphenyl)propenoate

4,4-ジメチルエルゴスタ-3-オール3-(4-ヒドロキシ-3-メトキシフェニル)プロペノアート
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： C40H62O4
Molecular formula furigana： C40-H62-O4
Molecular weight： 606.932
InChI： InChI=1S/C40H62O4/c1-25(2)26(3)10-11-27(4)30-15-16-31-29-14-18-35-38(5,6)36(21-23-40(35,8)32(29)20-22-39(30,31)7)44-37(42)19-13-28-12-17-33(41)34(24-28)43-9/h12-13,17,19,24-27,29-32,35-36,41H,10-11,14-16,18,20-23H2,1-9H3/t26-,27+,29-,30+,31-,32-,35?,36?,39+,40+/m0/s1
InChI key： HYWFEVZUEJLCQH-SDXQGDMLSA-N
SMILES： COc1cc(C=CC(=O)OC2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CCC3C2(C)C)[C@H](C)CC[C@H](C)C(C)C)ccc1O
Systematic name  (3)：
  • 4,4-ジメチルエルゴスタ-3-オール3-(4-ヒドロキシ-3-メトキシフェニル)プロペノアート
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5S)-5,6-ジメチルヘプタン-2-イル]-6,6,9a,11a-テトラメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル 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,9aR,9bS,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,6,9a,11a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (1)：
  • 4,4-Dimethylergost-3-ol 3-(4-hydroxy-3-methoxyphenyl)propenoate
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