Chem
J-GLOBAL ID:200907073128898767   Nikkaji number:J832.919B

3β-(3-O,4-O,6-O-Triacetyl-2-deoxy-α-D-arabino-hexopyranosyloxy)-11-oxoolean-12-en-30-oic acid

3β-(3-O,4-O,6-O-トリアセチル-2-デオキシ-α-D-arabino-ヘキソピラノシルオキシ)-11-オキソオレアナ-12-エン-30-酸
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: C42H62O11
Molecular formula furigana: C42-H62-O11
Molecular weight: 742.947
InChI: InChI=1S/C42H62O11/c1-23(43)49-22-30-34(51-25(3)45)29(50-24(2)44)20-33(52-30)53-32-12-13-40(8)31(37(32,4)5)11-14-42(10)35(40)28(46)19-26-27-21-39(7,36(47)48)16-15-38(27,6)17-18-41(26,42)9/h19,27,29-35H,11-18,20-22H2,1-10H3,(H,47,48)/t27-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41+,42+/m0/s1
InChI key: IVKANLOVSUNUIV-GEGZKQTKSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](C[C@@H](OC(=O)C)[C@@H]1OC(=O)C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)O)C1(C)C
Systematic name  (3):
  • 3β-(3-O,4-O,6-O-トリアセチル-2-デオキシ-α-D-arabino-ヘキソピラノシルオキシ)-11-オキソオレアナ-12-エン-30-酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2S,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-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-2-カルボン酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2S,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (1):
  • 3β-(3-O,4-O,6-O-Triacetyl-2-deoxy-α-D-arabino-hexopyranosyloxy)-11-oxoolean-12-en-30-oic acid
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