Chem
J-GLOBAL ID：200907061375546123   Nikkaji number：J1.261.457H

7-(3-Methoxy-4-hydroxybenzoyloxy)-3β-hydroxylup-20(29)-en-28-oic acid

7-(3-メトキシ-4-ヒドロキシベンゾイルオキシ)-3β-ヒドロキシルパ-20(29)-エン-28-酸
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： C38H54O7
Molecular formula furigana： C38-H54-O7
Molecular weight： 622.843
InChI： InChI=1S/C38H54O7/c1-21(2)23-13-16-38(33(42)43)18-17-36(6)24(31(23)38)10-12-27-35(5)15-14-29(40)34(3,4)28(35)20-30(37(27,36)7)45-32(41)22-9-11-25(39)26(19-22)44-8/h9,11,19,23-24,27-31,39-40H,1,10,12-18,20H2,2-8H3,(H,42,43)/t23-,24+,27+,28-,29-,30?,31+,35+,36+,37-,38-/m0/s1
InChI key： NEHGIPUGNIGEQF-HXJKCPFFSA-N
SMILES： COc1cc(ccc1O)C(=O)OC1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@H]3[C@H]4[C@@H](CC[C@@]4(CC[C@@]3(C)[C@]12C)C(=O)O)C(=C)C
Systematic name  (3)：
  • 7-(3-メトキシ-4-ヒドロキシベンゾイルオキシ)-3β-ヒドロキシルパ-20(29)-エン-28-酸
  • (1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bR)-9-ヒドロキシ-6-(4-ヒドロキシ-3-メトキシベンゾイルオキシ)-5a,5b,8,8,11a-ペンタメチル-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-3a-カルボン酸
  • (1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bR)-9-hydroxy-6-(4-hydroxy-3-methoxybenzoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (1)：
  • 7-(3-Methoxy-4-hydroxybenzoyloxy)-3β-hydroxylup-20(29)-en-28-oic acid
Thsaurus map：
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