Chem
J-GLOBAL ID:200907043484225967   Nikkaji number:J825.449D

Protoneodioscin

プロトネオジオシン
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: C51H84O22
Molecular formula furigana: C51-H84-O22
Molecular weight: 1049.211
InChI: InChI=1S/C51H84O22/c1-20(19-65-45-40(61)37(58)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-47-42(63)39(60)43(31(18-53)70-47)71-48-44(38(59)34(55)23(4)67-48)72-46-41(62)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+/m0/s1
InChI key: XCLAVUMHGGNAAQ-PLIFVMALSA-N
SMILES: C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • [(25S)-26-(β-D-グルコピラノシルオキシ)-22α-ヒドロキシフロスタ-5-エン-3β-イル]4-O-[2-O-(6-デオキシ-α-L-マンノピラノシル)-6-デオキシ-α-L-マンノピラノシル]-β-D-グルコピラノシド
  • (2S,3R,4R,5R,6S)-2-{[(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-ヒドロキシ-7,9,13-トリメチル-6-[(3S)-3-メチル-4-{[(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}ブチル]-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-18-エン-16-イル]オキシ}-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-メチルオキサン-3-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4R,5R,6S)-2-{[(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (3):
  • プロトネオジオシン
  • Protoneodioscin
  • [(25S)-26-(β-D-Glucopyranosyloxy)-22α-hydroxyfurost-5-en-3β-yl]4-O-[2-O-(6-deoxy-α-L-mannopyranosyl)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranoside
CAS registry number: 60478-69-5
KEGG COMPOUND: C08917
Thsaurus map:

Return to Previous Page