Chem
J-GLOBAL ID：200907070830782735   Nikkaji number：J708.816G

Gymnemasin B

ギムネマシンB
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： C42H68O16
Molecular formula furigana： C42-H68-O16
Molecular weight： 828.990
InChI： InChI=1S/C42H68O16/c1-37(2)13-20-19-7-8-23-38(3)11-10-26(39(4,17-44)22(38)9-12-40(23,5)41(19,6)15-25(47)42(20,18-45)24(46)14-37)56-36-31(52)32(30(51)33(58-36)34(53)54)57-35-29(50)28(49)27(48)21(16-43)55-35/h7,20-33,35-36,43-52H,8-18H2,1-6H3,(H,53,54)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31+,32-,33-,35-,36+,38-,39-,40+,41+,42+/m0/s1
InChI key： OGVAIPVQMTVULE-GSNCVHKJSA-N
SMILES： CC1(C)C[C@H](O)[C@]2(CO)[C@@H](O)C[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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3)：
  • 3β-[(3-O-β-D-グルコピラノシル-β-D-グルコピラヌロノシル)オキシ]オレアナ-12-エン-16β,22α,23,28-テトラオール
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-ジヒドロキシ-4,8a-ビス(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-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}-3,5-ジヒドロキシ-4-{[(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}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • ギムネマシンB
  • Gymnemasin B
  • 3β-[(3-O-β-D-Glucopyranosyl-β-D-glucopyranuronosyl)oxy]olean-12-ene-16β,22α,23,28-tetrol
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