Chem
J-GLOBAL ID：200907086848493998   Nikkaji number：J1.151.015I

4,4-Dimethylstigmastane-5,22-dien-3-ol (E)-3-(4-hydroxy-3-methoxyphenyl)propenoate

4,4-ジメチルスチグマスタン-5,22-ジエン-3-オール(E)-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： C41H60O4
Molecular formula furigana： C41-H60-O4
Molecular weight： 616.927
InChI： InChI=1S/C41H60O4/c1-10-29(26(2)3)14-11-27(4)31-16-17-32-30-15-19-36-39(5,6)37(22-24-41(36,8)33(30)21-23-40(31,32)7)45-38(43)20-13-28-12-18-34(42)35(25-28)44-9/h11-14,18-20,25-27,29-33,37,42H,10,15-17,21-24H2,1-9H3/b14-11?,20-13+/t27-,29-,30+,31-,32+,33+,37?,40-,41-/m1/s1
InChI key： GAGVQPLURMFMCG-WYANXYSPSA-N
SMILES： CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C
Systematic name  (3)：
  • 4,4-ジメチルスチグマスタン-5,22-ジエン-3-オール(E)-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-エチル-6-メチルヘプタ-3-エン-2-イル]-6,6,9a,11a-テトラメチル-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,9aR,9bS,11aR)-1-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-6,6,9a,11a-tetramethyl-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
Other name (1)：
  • 4,4-Dimethylstigmastane-5,22-dien-3-ol (E)-3-(4-hydroxy-3-methoxyphenyl)propenoate
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