Chem
J-GLOBAL ID:200907004614884172
Nikkaji number:J2.430.598H
(22R)-3-[4-(α-L-Rhamnopyranosyl)-β-D-glucopyranosyloxy]-27-(β-D-glucopyranosyloxy)-22-methoxy-5α-furostane
(22R)-3-[4-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-27-(β-D-グルコピラノシルオキシ)-22-メトキシ-5α-フロスタン
Download MOL file
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:
C46 H78 O18
Molecular formula furigana:
C46-H78-O18
Molecular weight:
919.112
InChI:
InChI=1S/C46H78O18/c1-20(19-59-41-37(54)35(52)33(50)29(17-47)62-41)9-14-45(58-6)21(2)31-28(64-45)16-27-25-8-7-23-15-24(10-12-43(23,4)26(25)11-13-44(27,31)5)61-42-38(55)39(56)46(57,30(18-48)63-42)40-36(53)34(51)32(49)22(3)60-40/h20-42,47-57H,7-19H2,1-6H3/t20?,21-,22-,23-,24?,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45+,46+/m0/s1
InChI key:
KCBZAUZHVVKPMJ-KLRZGLLVSA-N
SMILES:
CO[C@]1(CCC(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[C@H]5CC(CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@](O)([C@H](O)[C@H]1O)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name (3):
(22R)-3-[4-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-27-(β-D-グルコピラノシルオキシ)-22-メトキシ-5α-フロスタン
(2R,2'R,3R,3'S,4R,4'R,5R,5'R,6S,6'R)-2'-(ヒドロキシメチル)-6'-{[(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-メトキシ-7,9,13-トリメチル-6-(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 ]イコサン-16-イル]オキシ}-6-メチル-[2,3'-ビオキサン]-3,3',4,4',5,5'-ヘキサオール
(2R,2'R,3R,3'S,4R,4'R,5R,5'R,6S,6'R)-2'-(hydroxymethyl)-6'-{[(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-(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 ]icosan-16-yl]oxy}-6-methyl-[2,3'-bioxane]-3,3',4,4',5,5'-hexol
Other name (1):
(22R)-3-[4-(α-L-Rhamnopyranosyl)-β-D-glucopyranosyloxy]-27-(β-D-glucopyranosyloxy)-22-methoxy-5α-furostane
Thsaurus map:
Return to Previous Page