Chem
J-GLOBAL ID:200907057956724475   Nikkaji number:J710.093K

Scandenoside R11

スカンデノシドR11
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: C48H80O19
Molecular formula furigana: C48-H80-O19
Molecular weight: 961.149
InChI: InChI=1S/C48H80O19/c1-21(19-61-41-39(59)37(57)34(54)26(65-41)20-62-42-38(58)35(55)32(52)24(17-49)63-42)9-8-10-22(2)23-13-14-45(5)28-15-31-48(67-31)27(47(28,7)29(51)16-46(23,45)6)11-12-30(44(48,3)4)66-43-40(60)36(56)33(53)25(18-50)64-43/h9,22-43,49-60H,8,10-20H2,1-7H3/t22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,45+,46-,47+,48+/m1/s1
InChI key: XWICPXZADRKUAR-YYLNLETFSA-N
SMILES: C[C@H](CCC=C(C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4O[C@]54[C@@H](CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5(C)C)[C@]3(C)[C@H](O)C[C@]12C
Systematic name  (3):
  • [(10α)-3β-(β-D-グルコピラノシルオキシ)-11α-ヒドロキシ-5β,6β-エポキシ-9β-メチル-19-ノルラノスタ-24-エン-26-イル]6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(6R)-6-[(1R,2S,5S,7R,9R,11S,12S,15R,16R,18R)-18-ヒドロキシ-1,6,6,12,16-ペンタメチル-5-{[(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}-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカン-15-イル]-2-メチルヘプタ-2-エン-1-イル]オキシ}-6-({[(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)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(6R)-6-[(1R,2S,5S,7R,9R,11S,12S,15R,16R,18R)-18-hydroxy-1,6,6,12,16-pentamethyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]-2-methylhept-2-en-1-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3):
  • スカンデノシドR11
  • Scandenoside R11
  • [(10α)-3β-(β-D-Glucopyranosyloxy)-11α-hydroxy-5β,6β-epoxy-9β-methyl-19-norlanost-24-en-26-yl]6-O-β-D-glucopyranosyl-β-D-glucopyranoside
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