Chem
J-GLOBAL ID：200907063848829120   Nikkaji number：J991.515J

5α-Lupane-20(29)-ene-3β-ol (4-hydroxy-cis-cinnamate)

5α-ルパン-20(29)-エン-3β-オール(4-ヒドロキシ-cis-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： C39H56O3
Molecular formula furigana： C39-H56-O3
Molecular weight： 572.874
InChI： InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11-/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1
InChI key： LUJLGKGMUFEQQU-UITYVUBJSA-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)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (4)：
  • 5α-ルパン-20(29)-エン-3β-オール(4-ヒドロキシ-cis-シンナマート)
  • ルパ-20(29)-エン-3β-オール3-[(Z)-4-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 (2Z)-3-(4-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 (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (2)：
  • 5α-Lupane-20(29)-ene-3β-ol (4-hydroxy-cis-cinnamate)
  • Lup-20(29)-ene-3β-ol 3-[(Z)-4-hydroxybenzeneacrylate]
Thsaurus map：
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