Chem
J-GLOBAL ID：200907087873808525   Nikkaji number：J779.128C

22-O-Tigloylcamelliagenine A

22-O-チグロイルカメリアゲニンA
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： C35H56O5
Molecular formula furigana： C35-H56-O5
Molecular weight： 556.828
InChI： InChI=1S/C35H56O5/c1-10-21(2)29(39)40-28-19-30(3,4)17-23-22-11-12-25-32(7)15-14-26(37)31(5,6)24(32)13-16-33(25,8)34(22,9)18-27(38)35(23,28)20-36/h10-11,23-28,36-38H,12-20H2,1-9H3/b21-10+/t23-,24-,25+,26-,27+,28-,32-,33+,34+,35-/m0/s1
InChI key： NFAUACMRIYFJJD-KZHHKZRASA-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)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO
Systematic name  (3)：
  • オレアナ-12-エン-3β,16α,22α,28-テトラオール22-[(E)-2-メチル-2-ブテノアート]
  • (4S,4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-ジヒドロキシ-4a-(ヒドロキシメチル)-2,2,6a,6b,9,9,12a-ヘプタメチル-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,10S,12aR,12bR,14bS)-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-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 (3)：
  • 22-O-チグロイルカメリアゲニンA
  • 22-O-Tigloylcamelliagenine A
  • Olean-12-ene-3β,16α,22α,28-tetrol 22-[(E)-2-methyl-2-butenoate]
Thsaurus map：
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