Chem
J-GLOBAL ID：200907028722610557   Nikkaji number：J1.662.191I

Ebracteatoside A

エブラクテアトシドA
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： C24H40O12
Molecular formula furigana： C24-H40-O12
Molecular weight： 520.572
InChI： InChI=1S/C24H40O12/c1-11(5-6-13-12(2)16(28)14(27)7-23(13,3)4)34-21-19(18(30)17(29)15(8-25)35-21)36-22-20(31)24(32,9-26)10-33-22/h5-6,11,14-22,25-32H,7-10H2,1-4H3/t11-,14+,15-,16-,17-,18+,19-,20+,21-,22+,24-/m1/s1
InChI key： UVNWUTOIBBOFBU-VVAMHZCWSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)C=CC1=C(C)[C@@H](O)[C@@H](O)CC1(C)C
Systematic name  (3)：
  • 3,5,5-トリメチル-4-[(R)-3-[2-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシルオキシ]-1-ブテニル]-3-シクロヘキセン-1α,2α-ジオール
  • (2R,3S,4S,5R,6R)-6-{[(2R)-4-[(3R,4S)-3,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]ブタ-3-エン-2-イル]オキシ}-5-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-2-(ヒドロキシメチル)オキサン-3,4-ジオール
  • (2R,3S,4S,5R,6R)-6-{[(2R)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-yl]oxy}-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol
Other name (3)：
  • 3,5,5-Trimethyl-4-[(R)-3-[2-O-(D-apio-β-D-furanosyl)-β-D-glucopyranosyloxy]-1-butenyl]-3-cyclohexene-1α,2α-diol
  • Ebracteatoside A
  • エブラクテアトシドA
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