Chem
J-GLOBAL ID:200907050905256766   Nikkaji number:J2.212.247I

Argeloside I

アルゲロシドI
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: C48H76O17
Molecular formula furigana: C48-H76-O17
Molecular weight: 925.119
InChI: InChI=1S/C48H76O17/c1-22-37(50)42(54-10)38(51)44(59-22)63-41-25(4)58-36(20-32(41)53-9)62-40-24(3)57-35(19-31(40)52-8)61-39-23(2)56-34(18-30(39)49)60-27-13-15-45(5)26(17-27)11-12-29-28(45)14-16-46(6)43-33-21-55-47(43,7)65-48(29,46)64-33/h11,22-25,27-44,49-51H,12-21H2,1-10H3/t22-,23-,24-,25-,27+,28+,29-,30-,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45+,46-,47-,48+/m1/s1
InChI key: GAOBNFYEJRRWAQ-WZMBPNEFSA-N
SMILES: CO[C@H]1C[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@@H]7[C@H]8CO[C@]7(C)O[C@@]6(O8)[C@@H]5CC=C4C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1
Systematic name  (3):
  • (14S,16S,17R,20R)-3β-[4-O-[3-O-メチル-4-O-[3-O-メチル-4-O-(3-O-メチル-6-デオキシ-β-D-グルコピラノシル)-2,6-ジデオキシ-β-D-グルコピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシルオキシ]-14,16:14,20:15,20-トリエポキシ-14,15-セコプレグナ-5-エン
  • (2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3S,4R,6R)-4-ヒドロキシ-2-メチル-6-{[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-トリメチル-17,20,21-トリオキサヘキサシクロ[14.4.1.01,14.02,11.05,10.015,19]ヘンイコサ-4-エン-7-イル]オキシ}オキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-6-メチルオキサン-3,5-ジオール
  • (2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3S,4R,6R)-4-hydroxy-2-methyl-6-{[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxy}oxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol
Other name (3):
  • (14S,16S,17R,20R)-3β-[4-O-[3-O-Methyl-4-O-[3-O-methyl-4-O-(3-O-methyl-6-deoxy-β-D-glucopyranosyl)-2,6-dideoxy-β-D-glucopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-arabino-hexopyranosyloxy]-14,16:14,20:15,20-triepoxy-14,15-secopregna-5-ene
  • アルゲロシドI
  • Argeloside I
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