Chem
J-GLOBAL ID：200907083095883675   Nikkaji number：J716.236G

Sagittarioside b

サギッタリオシド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： C26H42O9
Molecular formula furigana： C26-H42-O9
Molecular weight： 498.613
InChI： InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(31)32)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-34-21-20(30)19(29)18(28)15(11-27)35-21/h14-21,27-30,33H,3-13H2,1-2H3,(H,31,32)/t14-,15-,16+,17+,18-,19+,20-,21-,23-,24-,25+,26-/m1/s1
InChI key： RDJJPCDVQOJULI-WPGYLICUSA-N
SMILES： C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3)C(=O)O
Systematic name  (3)：
  • (4R,4aα,11aα)-4,11bβ-ジメチル-8β-(β-D-グルコピラノシルオキシメチル)-8-ヒドロキシテトラデカヒドロ-6aβ,9β-メタノ-6aH-シクロヘプタ[a]ナフタレン-4β-カルボン酸
  • (1S,4S,5R,9S,10R,13R,14S)-14-ヒドロキシ-5,9-ジメチル-14-({[(2R,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}メチル)テトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-5-カルボン酸
  • (1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-5,9-dimethyl-14-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Other name (3)：
  • サギッタリオシドb
  • Sagittarioside b
  • (4R,4aα,11aα)-4,11bβ-Dimethyl-8β-(β-D-glucopyranosyloxymethyl)-8-hydroxytetradecahydro-6aβ,9β-methano-6aH-cyclohepta[a]naphthalene-4β-carboxylic acid
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