Chem
J-GLOBAL ID：200907011996272208   Nikkaji number：J704.632D

6′-Methylmomordin Ic

6′-メチルモモルジンIc
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： C42H66O13
Molecular formula furigana： C42-H66-O13
Molecular weight： 778.977
InChI： InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-30(47)31(29(46)32(55-35)33(48)51-8)54-34-28(45)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)/t22-,23+,24-,25+,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChI key： YLACYPLYIMKUHI-BZCCUPOFSA-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)O)C2(C)C)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Systematic name  (5)：
  • 3β-(3-O-β-D-キシロピラノシル-6-O-メチル-β-D-グルコピラヌロノシルオキシ)オレアナ-12-エン-28-酸
  • 3β-[3-O-(β-D-キシロピラノシル)-6-O-メチル-β-D-グルクロノピラノシルオキシ]オレアナ-12-エン-28-酸
  • 3β-[3-O-(β-D-キシロピラノシル)-6-O-メチル-β-D-グルコピラヌロノシルオキシ]オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S,6S)-3,5-ジヒドロキシ-6-(メトキシカルボニル)-4-{[(2S,3R,4S,5R)-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-イル]オキシ}-2,2,6a,6b,9,9,12a-ヘプタメチル-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-4a-カルボン酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-(methoxycarbonyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (4)：
  • 6′-メチルモモルジンIc
  • 6′-Methylmomordin Ic
  • 3β-[3-O-(β-D-Xylopyranosyl)-6-O-methyl-β-D-glucurono pyranosyloxy]olean-12-en-28-oic acid
  • 3β-[3-O-(β-D-Xylopyranosyl)-6-O-methyl-β-D-glucopyranuronosyloxy]oleana-12-ene-28-oic acid
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