Chem
J-GLOBAL ID：200907030672665210   Nikkaji number：J1.615.886K

Iandonoside B

イアンドノシド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： C26H38O14
Molecular formula furigana： C26-H38-O14
Molecular weight： 574.576
InChI： InChI=1S/C26H38O14/c1-8-4-11(38-21-16(30)15(29)14(28)12(6-27)39-21)18(32)23(3)10(8)5-13-24-7-37-26(36,22(23)24)17(31)9(2)25(24,35)19(33)20(34)40-13/h4,9-19,21-22,27-33,35-36H,5-7H2,1-3H3/t9-,10-,11-,12+,13+,14+,15-,16+,17+,18+,19+,21+,22+,23+,24+,25-,26-/m0/s1
InChI key： FXBQHLKUFHKBNN-LVIKPBPKSA-N
SMILES： C[C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@@H](O)[C@@]14O
Systematic name  (3)：
  • 11β,20-エポキシ-1β,11,12α,14,15α-ペンタヒドロキシ-2α-[(β-D-グルコピラノシル)オキシ]ピクラサ-3-エン-16-オン
  • (1R,4R,5R,6S,7R,8S,11R,13S,16S,17S,18S,19R)-4,5,7,8,17-ペンタヒドロキシ-6,14,18-トリメチル-16-{[(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}-3,10-ジオキサペンタシクロ[9.8.0.01,7.04,19.013,18]ノナデカ-14-エン-9-オン
  • (1R,4R,5R,6S,7R,8S,11R,13S,16S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Other name (3)：
  • 11β,20-Epoxy-1β,11,12α,14,15α-pentahydroxy-2α-[(β-D-glucopyranosyl)oxy]picrasa-3-ene-16-one
  • イアンドノシドB
  • Iandonoside B
Thsaurus map：
Thesaurus Map

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