Chem
J-GLOBAL ID:200907026376459321   Nikkaji number:J711.405B

3β-[(6-O-Methyl-2-O-β-D-xylopyranosyl-3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]olean-12-en-28-oic acid 28-methyl ester

3β-[(6-O-メチル-2-O-β-D-キシロピラノシル-3-O-α-L-アラビノピラノシル-β-D-グルコピラヌロノシル)オキシ]オレアナ-12-エン-28-酸28-メチル
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: C48H76O17
Molecular formula furigana: C48-H76-O17
Molecular weight: 925.119
InChI: InChI=1S/C48H76O17/c1-43(2)16-18-48(42(57)59-9)19-17-46(6)23(24(48)20-43)10-11-28-45(5)14-13-29(44(3,4)27(45)12-15-47(28,46)7)62-41-37(65-40-33(54)31(52)26(50)22-61-40)35(34(55)36(64-41)38(56)58-8)63-39-32(53)30(51)25(49)21-60-39/h10,24-37,39-41,49-55H,11-22H2,1-9H3/t24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChI key: HUINBDVKZBCCKM-YBSMVCQESA-N
SMILES: COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OC)C2(C)C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Systematic name  (3):
  • 3β-[(6-O-メチル-2-O-β-D-キシロピラノシル-3-O-α-L-アラビノピラノシル-β-D-グルコピラヌロノシル)オキシ]オレアナ-12-エン-28-酸28-メチル
  • メチル (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(メトキシカルボニル)-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-3-イル]オキシ}-3-ヒドロキシ-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(methoxycarbonyl)-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-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylate
Other name (1):
  • 3β-[(6-O-Methyl-2-O-β-D-xylopyranosyl-3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]olean-12-en-28-oic acid 28-methyl ester
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