Chem
J-GLOBAL ID：200907017512189962   Nikkaji number：J703.371K

Gymnemoside B

ギムネモシド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： C43H66O14
Molecular formula furigana： C43-H66-O14
Molecular weight： 806.987
InChI： InChI=1S/C43H66O14/c1-10-21(2)36(53)57-33-34(54-22(3)46)43(20-45)24(17-38(33,4)5)23-11-12-26-39(6)15-14-28(55-37-31(50)29(48)30(49)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)47/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
InChI key： HEDGVSAVGIUCLH-ZXKKMYOJSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)C)[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]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
Systematic name  (3)：
  • 22α-アセトキシ-16β,23,28-トリヒドロキシ-21β-[(E)-2-メチル-1-オキソ-2-ブテニルオキシ]オレアナ-12-エン-3β-イルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-9-(アセチルオキシ)-8-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-10-{[(2E)-2-メチルブタ-2-エノイル]オキシ}-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)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-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B
  • Gymnemoside B
  • 22α-Acetoxy-16β,23,28-trihydroxy-21β-[(E)-2-methyl-1-oxo-2-butenyloxy]olean-12-en-3β-yl β-D-glucopyranosiduronic acid
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