Chem
J-GLOBAL ID:200907016452500039   Nikkaji number:J976.235C

1-Oxoerythrodiol

1-オキソエリトロジオール
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: C30H48O3
Molecular formula furigana: C30-H48-O3
Molecular weight: 456.711
InChI: InChI=1S/C30H48O3/c1-25(2)12-14-30(18-31)15-13-27(5)19(20(30)17-25)8-9-22-28(27,6)11-10-21-26(3,4)23(32)16-24(33)29(21,22)7/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,27+,28+,29-,30+/m0/s1
InChI key: BXVZONSMHFNFBE-GPAJXWGPSA-N
SMILES: CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1
Systematic name  (3):
  • 3β,28-ジヒドロキシオレアナ-12-エン-1-オン
  • (3S,4aS,6aR,6bS,8aS,12aS,14aS,14bR)-3-ヒドロキシ-8a-(ヒドロキシメチル)-4,4,6a,6b,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-1-オン
  • (3S,4aS,6aR,6bS,8aS,12aS,14aS,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-1-one
Other name (3):
  • 3β,28-Dihydroxyoleana-12-ene-1-one
  • 1-オキソエリトロジオール
  • 1-Oxoerythrodiol
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