Chem
J-GLOBAL ID:200907040162587813   Nikkaji number:J987.076H

(25R)-1β-[2-O-(α-L-Rhamnopyranosyl)-6-O-acetyl-β-D-galactopyranosyloxy]-22-methoxy-26-(β-D-glucopyranosyloxy)furosta-5-ene-3β-ol

(25R)-1β-[2-O-(α-L-ラムノピラノシル)-6-O-アセチル-β-D-ガラクトピラノシルオキシ]-22-メトキシ-26-(β-D-グルコピラノシルオキシ)フロスタ-5-エン-3β-オール
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: C48H78O20
Molecular formula furigana: C48-H78-O20
Molecular weight: 975.132
InChI: InChI=1S/C48H78O20/c1-20(18-62-43-40(58)38(56)35(53)30(17-49)64-43)10-13-48(60-7)21(2)33-29(68-48)16-28-26-9-8-24-14-25(51)15-32(47(24,6)27(26)11-12-46(28,33)5)66-45-42(39(57)36(54)31(65-45)19-61-23(4)50)67-44-41(59)37(55)34(52)22(3)63-44/h8,20-22,25-45,49,51-59H,9-19H2,1-7H3/t20-,21+,22+,25-,26-,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: OAFYYFCLWIEHGB-RZRFYKCLSA-N
SMILES: COC1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6O[C@H](COC(=O)C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Systematic name  (3):
  • (25R)-1β-[2-O-(α-L-ラムノピラノシル)-6-O-アセチル-β-D-ガラクトピラノシルオキシ]-22-メトキシ-26-(β-D-グルコピラノシルオキシ)フロスタ-5-エン-3β-オール
  • [(2R,3R,4S,5R,6R)-3,4-ジヒドロキシ-6-{[(1S,2S,4S,7S,8R,9S,12S,13R,14R,16R)-16-ヒドロキシ-6-メトキシ-7,9,13-トリメチル-6-[(3R)-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-14-イル]オキシ}-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-{[(1S,2S,4S,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-6-methoxy-7,9,13-trimethyl-6-[(3R)-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-14-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • (25R)-1β-[2-O-(α-L-Rhamnopyranosyl)-6-O-acetyl-β-D-galactopyranosyloxy]-22-methoxy-26-(β-D-glucopyranosyloxy)furosta-5-ene-3β-ol
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