Chem
J-GLOBAL ID：200907004654337603   Nikkaji number：J1.261.458F

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

7β-(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： C37H52O6
Molecular formula furigana： C37-H52-O6
Molecular weight： 592.817
InChI： InChI=1S/C37H52O6/c1-21(2)24-14-17-37(32(41)42)19-18-35(6)25(30(24)37)12-13-26-34(5)16-15-28(39)33(3,4)27(34)20-29(36(26,35)7)43-31(40)22-8-10-23(38)11-9-22/h8-11,24-30,38-39H,1,12-20H2,2-7H3,(H,41,42)/t24-,25+,26+,27-,28-,29-,30+,34+,35+,36-,37-/m0/s1
InChI key： NHABVTPWURDXIY-SQMJLNILSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@H](OC(=O)c5ccc(O)cc5)[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3)：
  • 7β-(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,6S,7aR,9S,11aS,11bR,13aR,13bR)-9-ヒドロキシ-6-(4-ヒドロ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,6S,7aR,9S,11aS,11bR,13aR,13bR)-9-hydroxy-6-(4-hydroxybenzoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (1)：
  • 7β-(4-Hydroxybenzoyloxy)-3β-hydroxylup-20(29)-en-28-oic acid
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