Chem
J-GLOBAL ID：200907052037487643   Nikkaji number：J20.818C

Valerosidatum

バレロシダツム
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： C21H34O11
Molecular formula furigana： C21-H34-O11
Molecular weight： 462.492
InChI： InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1
InChI key： LANCLZFYVLANQS-RHMPUOGUSA-N
SMILES： CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12
Systematic name  (3)：
  • [(1S)-1,4aα,5,6,7,7aα-ヘキサヒドロ-6α,7β-ジヒドロキシ-7-メチル-1α-(3-メチル-1-オキソブトキシ)シクロペンタ[c]ピラン-4-イル]メチルβ-D-グルコピラノシド
  • (1S,4aS,6S,7S,7aS)-6,7-ジヒドロキシ-7-メチル-4-({[(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)-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-1-イル 3-メチルブタノアート
  • (1S,4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
Other name (3)：
  • バレロシダツム
  • Valerosidatum
  • [(1S)-1,4aα,5,6,7,7aα-Hexahydro-6α,7β-dihydroxy-7-methyl-1α-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
CAS registry number： 29505-31-5
KEGG COMPOUND： C17068
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM