Chem
J-GLOBAL ID:200907025714485060   Nikkaji number:J2.331.347B

Blumenol C 9-O-β-(6-O-rhamnosyl-2-O-β-glucuronosylglucoside)

ブルメノールC9-O-β-(6-O-ラムノシル-2-O-β-グルクロノシルグルコシド)
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: C31H50O17
Molecular formula furigana: C31-H50-O17
Molecular weight: 694.724
InChI: InChI=1S/C31H50O17/c1-11-8-14(32)9-31(4,5)15(11)7-6-12(2)44-30-26(48-29-24(40)20(36)22(38)25(47-29)27(41)42)21(37)18(34)16(46-30)10-43-28-23(39)19(35)17(33)13(3)45-28/h8,12-13,15-26,28-30,33-40H,6-7,9-10H2,1-5H3,(H,41,42)/t12?,13-,15+,16+,17-,18+,19+,20-,21-,22-,23+,24+,25-,26+,28+,29-,30+/m0/s1
InChI key: JJEANVBAGUMZKW-BSUNEXCLSA-N
SMILES: CC(CC[C@@H]1C(=CC(=O)CC1(C)C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3):
  • 1-[(1S)-2,6,6-トリメチル-4-オキソ-2-シクロヘキセン-1-イル]ブタン-3-イル6-O-(α-L-ラムノピラノシル)-2-O-(β-D-グルクロノピラノシル)-β-D-グルコピラノシド
  • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-2-({4-[(1S)-2,6,6-トリメチル-4-オキソシクロヘキサ-2-エン-1-イル]ブタン-2-イル}オキシ)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2-({4-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (3):
  • 1-[(1S)-2,6,6-Trimethyl-4-oxo-2-cyclohexene-1-yl]butane-3-yl 6-O-(α-L-rhamnopyranosyl)-2-O-(β-D-glucurono pyranosyl)-β-D-glucopyranoside
  • ブルメノールC9-O-β-(6-O-ラムノシル-2-O-β-グルクロノシルグルコシド)
  • Blumenol C 9-O-β-(6-O-rhamnosyl-2-O-β-glucuronosylglucoside)
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