Chem
J-GLOBAL ID：200907048545861987   Nikkaji number：J1.673.952I

Bacopaside II

バコパシドII
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： C47H76O18
Molecular formula furigana： C47-H76-O18
Molecular weight： 929.107
InChI： InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1
InChI key： WZWPYJOPCULCLQ-UOXCDNDQSA-N
SMILES： CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[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@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]42C)[C@H]3[C@@]1(C)O)C
Systematic name  (3)：
  • [(1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-オクタデカヒドロ-1-ヒドロキシ-1,6b,9,9,12a-ペンタメチル-2-(2-メチル-1-プロペニル)-4a,6a-メタノ-1H,6H-フェナントロ[2,1-d]ピラノ[2,3-b]ピラン-10-イル]-2-O-α-L-アラビノフラノシル-3-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-5-ヒドロキシ-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-ヒドロキシ-2,6,6,10,16-ペンタメチル-17-(2-メチルプロパ-1-エン-1-イル)-19,21-ジオキサヘキサシクロ[18.2.1.01,14.02,11.05,10.015,20]トリコサン-7-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • [(1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-Octadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propenyl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl]-2-O-α-L-arabinofuranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • バコパシドII
  • Bacopaside II
CAS registry number： 382146-66-9
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