Chem
J-GLOBAL ID：200907029739262397   Nikkaji number：J1.538.048I

Officinoside D

オフィシノシドD
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： C27H46O11
Molecular formula furigana： C27-H46-O11
Molecular weight： 546.654
InChI： InChI=1S/C27H46O11/c1-11-5-6-13-16(11)17-14(7-8-27(13,4)38-25-23(34)20(31)18(29)12(2)36-25)26(17,3)10-35-24-22(33)21(32)19(30)15(9-28)37-24/h11-25,28-34H,5-10H2,1-4H3/t11-,12-,13+,14-,15-,16-,17-,18+,19-,20+,21+,22-,23-,24-,25+,26+,27-/m1/s1
InChI key： QMZPCWAILBCLFF-JGVVKRRYSA-N
SMILES： C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(1α,2β,3S,4β,8α)-3β-(β-D-グルコピラノシルオキシメチル)-3,7,11β-トリメチルトリシクロ[6.3.0.02,4]ウンデカン-7β-イル]β-D-フコピラノシド
  • (2S,3R,4S,5R,6R)-2-{[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-トリメチル-1-({[(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)-デカヒドロ-1H-シクロプロパ[e]アズレン-4-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4S,5R,6R)-2-{[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-trimethyl-1-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydro-1H-cyclopropa[e]azulen-4-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (3)：
  • [(1α,2β,3S,4β,8α)-3β-(β-D-Glucopyranosyloxymethyl)-3,7,11β-trimethyltricyclo[6.3.0.02,4]undecane-7β-yl]β-D-fucopyranoside
  • オフィシノシドD
  • Officinoside D
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