Chem
J-GLOBAL ID:200907041529634453   Nikkaji number:J704.634K

2′-O-Glucopyranosylmomordin IIc

2′-O-グルコピラノシルモモルジンIIc
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: C53H84O23
Molecular formula furigana: C53-H84-O23
Molecular weight: 1089.232
InChI: InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-44-36(63)33(60)31(58)25(19-54)70-44)39(38(65)40(74-46)42(66)67)73-43-35(62)30(57)24(56)21-69-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
InChI key: GTMFXAIMOULWTC-XBNIQZBLSA-N
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • 3β-(2-O-β-D-グルコピラノシル-3-O-β-D-キシロピラノシル-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-β-D-グルコピラノシル
  • 3β-[2-O-(β-D-グルコピラノシル)-3-O-(β-D-キシロピラノシル)-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-β-D-グルコピラノシル
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-ヘプタメチル-8a-({[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}カルボニル)-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,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-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-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3):
  • 2′-O-グルコピラノシルモモルジンIIc
  • 2′-O-Glucopyranosylmomordin IIc
  • 3β-[2-O-(β-D-Glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyloxy]olean-12-en-28-oic acid 28-β-D-glucopyranosyl ester
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