Chem
J-GLOBAL ID：200907017873675144   Nikkaji number：J779.130E

3β,16α,28-Trihydroxy-22α-[[(E)-2-methyl-2-butenoyl]oxy]olean-12-en-23-al

3β,16α,28-トリヒドロキシ-22α-[[(E)-2-メチル-2-ブテノイル]オキシ]オレアナ-12-エン-23-アール
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： C35H54O6
Molecular formula furigana： C35-H54-O6
Molecular weight： 570.811
InChI： InChI=1S/C35H54O6/c1-9-21(2)29(40)41-28-18-30(3,4)16-23-22-10-11-25-31(5)14-13-26(38)32(6,19-36)24(31)12-15-33(25,7)34(22,8)17-27(39)35(23,28)20-37/h9-10,19,23-28,37-39H,11-18,20H2,1-8H3/b21-9+/t23-,24+,25+,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
InChI key： LEVPJKBGJQJLKJ-QVBZILOSSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO
Systematic name  (3)：
  • 3β,16α,28-トリヒドロキシ-22α-[[(E)-2-メチル-2-ブテノイル]オキシ]オレアナ-12-エン-23-アール
  • (4S,4aR,5R,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-ホルミル-5,10-ジヒドロキシ-4a-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4-イル (2E)-2-メチルブタ-2-エノアート
  • (4S,4aR,5R,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl (2E)-2-methylbut-2-enoate
Other name (1)：
  • 3β,16α,28-Trihydroxy-22α-[[(E)-2-methyl-2-butenoyl]oxy]olean-12-en-23-al
Thsaurus map：
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