Chem
J-GLOBAL ID：200907082667309510   Nikkaji number：J1.953.766H

Lupa-20(29)-ene-3β-ol 3-(3,4-dihydroxy-trans-cinnamate)

ルパ-20(29)-エン-3β-オール3-(3,4-ジヒドロキシ-trans-シンナマート)
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： C39H56O4
Molecular formula furigana： C39-H56-O4
Molecular weight： 588.873
InChI： InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1
InChI key： NIKLINODNHPPMX-HBWVHPEESA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (4)：
  • ルパ-20(29)-エン-3β-オール3-(3,4-ジヒドロキシ-trans-シンナマート)
  • ルパ-20(29)-エン-3β-オール3-[(E)-3,4-ジヒドロキシベンゼンアクリラート]
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (2)：
  • Lupa-20(29)-ene-3β-ol 3-(3,4-dihydroxy-trans-cinnamate)
  • Lupa-20(29)-ene-3β-ol 3-[(E)-3,4-dihydroxybenzeneacrylate]
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