Chem
J-GLOBAL ID:200907072289483900
Nikkaji number:J617.408F
Deltonin
デルトニン
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:
C45 H72 O17
Molecular formula furigana:
C45-H72-O17
Molecular weight:
885.054
InChI:
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChI key:
OLAMGHNQGZIWHZ-YIKYYZBWSA-N
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@@]21CC[C@@H](C)CO2
Systematic name (5):
(25R)-3β-[2-O-(α-L-ラムノピラノシル)-4-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]スピロスタ-5-エン
[(25R)-スピロスタ-5-エン-3β-イル]4-O-β-D-グルコピラノシル-2-O-α-L-ラムノピラノシル-β-D-グルコピラノシド
(22R,25R)-3β-[4-O-(β-D-グルコピラノシル)-2-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-スピロスタ-5-エン
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-4-ヒドロキシ-2-(ヒドロキシメチル)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサン]-18'-エネオキシ]-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-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosan]-18'-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (5):
(25R)-3β-[2-O-(α-L-Rhamnopyranosyl)-4-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]spirost-5-ene
[(25R)-Spirosta-5-ene-3β-yl]4-O-β-D-glucopyranosyl-2-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
デルトニン
Deltonin
(22R,25R)-3β-[4-O-(β-D-Glucopyranosyl)-2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-spirosta-5-ene
CAS registry number:
55659-75-1
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