Chem
J-GLOBAL ID:200907032035498507   Nikkaji number:J12.652G

Lantadene A

ランタデン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: C35H52O5
Molecular formula furigana: C35-H52-O5
Molecular weight: 552.796
InChI: InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
InChI key: KCLIRHUTOPOHKJ-LSZVMECJSA-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)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O
Systematic name  (3):
  • 22β-[[(Z)-2-メチル-1-オキソ-2-ブテニル]オキシ]-3-オキソオレアナ-12-エン-28-酸
  • (4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-ヘプタメチル-4-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-10-オキソ-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-4a-カルボン酸
  • (4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (5):
  • レーマン酸
  • ランタデンA
  • Lantadene A
  • Rehmannic acid
  • 22β-[[(Z)-2-Methyl-1-oxo-2-butenyl]oxy]-3-oxoolean-12-en-28-oic acid
CAS registry number: 467-81-2
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