Chem
J-GLOBAL ID:200907050549469180   Nikkaji number:J2.096.579G

(25α)-3β-[2-O,4-O-Bis(D-rhamnopyranosyl)-3-O-methyl-D-glucopyranosyloxy]spirosta-5-ene

(25α)-3β-[2-O,4-O-ビス(D-ラムノピラノシル)-3-O-メチル-D-グルコピラノシルオキシ]スピロスタ-5-エン
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: C46H74O16
Molecular formula furigana: C46-H74-O16
Molecular weight: 883.082
InChI: InChI=1S/C46H74O16/c1-20-10-15-46(55-19-20)21(2)31-29(62-46)17-28-26-9-8-24-16-25(11-13-44(24,5)27(26)12-14-45(28,31)6)58-43-40(61-42-37(53)35(51)33(49)23(4)57-42)39(54-7)38(30(18-47)59-43)60-41-36(52)34(50)32(48)22(3)56-41/h8,20-23,25-43,47-53H,9-19H2,1-7H3/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-/m1/s1
InChI key: ZALPDHPOCIAIIC-HEVLTUSNSA-N
SMILES: CO[C@H]1[C@H](OC2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@H]56)[C@@H]4CC=C3C2)[C@@H]1OC1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3):
  • (25α)-3β-[2-O,4-O-ビス(D-ラムノピラノシル)-3-O-メチル-D-グルコピラノシルオキシ]スピロスタ-5-エン
  • (3S,4S,5S,6R)-2-{[(2R,3R,4S,5R)-2-(ヒドロキシメチル)-4-メトキシ-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-{[(3S,4S,5S,6R)-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-メチルオキサン-3,4,5-トリオール
  • (3S,4S,5S,6R)-2-{[(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-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-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (1):
  • (25α)-3β-[2-O,4-O-Bis(D-rhamnopyranosyl)-3-O-methyl-D-glucopyranosyloxy]spirosta-5-ene
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