Chem
J-GLOBAL ID：200907036560093289   Nikkaji number：J923.473J

Gymnemoside C

ギムネモシドC
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： C45H64O14
Molecular formula furigana： C45-H64-O14
Molecular weight： 828.993
InChI： InChI=1S/C45H64O14/c1-23(47)56-22-45-26(19-40(2,3)36(35(45)52)59-38(55)24-11-9-8-10-12-24)25-13-14-28-41(4)17-16-30(57-39-33(51)31(49)32(50)34(58-39)37(53)54)42(5,21-46)27(41)15-18-43(28,6)44(25,7)20-29(45)48/h8-13,26-36,39,46,48-52H,14-22H2,1-7H3,(H,53,54)/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,39+,41-,42-,43+,44+,45-/m0/s1
InChI key： PVCYNNSXVDSKLU-QLNODMLJSA-N
SMILES： CC(=O)OC[C@@]12[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]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)[C@@H](OC(=O)c1ccccc1)[C@@H]2O
Systematic name  (3)：
  • 3β-(β-D-グルコピラヌロノシルオキシ)オレアナ-12-エン-16β,21β,22α,23,28-ペンタオール21-ベンゾアート28-アセタート
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-[(アセチルオキシ)メチル]-10-(ベンゾイルオキシ)-8,9-ジヒドロキシ-4-(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}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-[(acetyloxy)methyl]-10-(benzoyloxy)-8,9-dihydroxy-4-(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}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (3)：
  • ギムネモシドC
  • Gymnemoside C
  • 3β-(β-D-Glucopyranuronosyloxy)olean-12-ene-16β,21β,22α,23,28-pentol 21-benzoate 28-acetate
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