Chem
J-GLOBAL ID：200907039812715538   Nikkaji number：J1.911.730H

3-Methoxy-4-hydroxy-trans-cinnamic acid (22E)-stigmasta-5,22-diene-3-yl ester

3-メトキシ-4-ヒドロキシ-trans-けい皮酸(22E)-スチグマスタ-5,22-ジエン-3-イル
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： C39H56O4
Molecular formula furigana： C39-H56-O4
Molecular weight： 588.873
InChI： InChI=1S/C39H56O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h9-13,17-18,23,25-26,28,30-34,40H,8,14-16,19-22,24H2,1-7H3/b12-9+,18-11+/t26-,28-,30?,31+,32-,33+,34+,38+,39-/m1/s1
InChI key： NMWHNQAIHFWROQ-ONOMEEPUSA-N
SMILES： CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C
Systematic name  (3)：
  • 3-メトキシ-4-ヒドロキシ-trans-けい皮酸(22E)-スチグマスタ-5,22-ジエン-3-イル
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-エチル-6-メチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-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,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-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)：
  • 3-Methoxy-4-hydroxy-trans-cinnamic acid (22E)-stigmasta-5,22-diene-3-yl ester
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