Chem
J-GLOBAL ID：200907019917801480   Nikkaji number：J2.105.585I

11α-Methoxyoleana-12-ene-1β,3β,28-triol

11α-メトキシオレアナ-12-エン-1β,3β,28-トリオール
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： C31H52O4
Molecular formula furigana： C31-H52-O4
Molecular weight： 488.753
InChI： InChI=1S/C31H52O4/c1-26(2)11-13-31(18-32)14-12-28(5)19(20(31)17-26)15-21(35-8)25-29(28,6)10-9-22-27(3,4)23(33)16-24(34)30(22,25)7/h15,20-25,32-34H,9-14,16-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,28+,29+,30+,31+/m0/s1
InChI key： VQGYJAXISTYISP-SZXOOLOOSA-N
SMILES： CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)C[C@@H](O)[C@]3(C)[C@@H]12
Systematic name  (3)：
  • 11α-メトキシオレアナ-12-エン-1β,3β,28-トリオール
  • (1R,3S,4aS,6aR,6bS,8aS,12aS,14R,14aS,14bS)-8a-(ヒドロキシメチル)-14-メトキシ-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-1,3-ジオール
  • (1R,3S,4aS,6aR,6bS,8aS,12aS,14R,14aS,14bS)-8a-(hydroxymethyl)-14-methoxy-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-icosahydropicene-1,3-diol
Other name (1)：
  • 11α-Methoxyoleana-12-ene-1β,3β,28-triol
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