Chem
J-GLOBAL ID：200907003516294573   Nikkaji number：J956.821B

Quinquenoside IV

キンクエノシドIV
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： C54H90O24
Molecular formula furigana： C54-H90-O24
Molecular weight： 1123.290
InChI： InChI=1S/C54H90O24/c1-22(2)10-9-13-53(7,78-48-44(70)40(66)37(63)28(75-48)21-71-46-42(68)38(64)34(60)25(18-55)72-46)23-11-15-52(6)33(23)24(58)16-30-51(5)14-12-32(50(3,4)29(51)17-31(59)54(30,52)8)76-49-45(41(67)36(62)27(20-57)74-49)77-47-43(69)39(65)35(61)26(19-56)73-47/h10,17,23-28,30-49,55-70H,9,11-16,18-21H2,1-8H3/t23-,24+,25+,26+,27+,28+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53-,54-/m0/s1
InChI key： SKOMPTIDEDWVJD-GVYXYICBSA-N
SMILES： CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3=C[C@H](O)[C@@]21C)C
Systematic name  (3)：
  • [20-[(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-7β,12β-ジヒドロキシ-5α-ダンマラ-5,24-ジエン-3β-イル]2-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,4S,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,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}オキサン-2-イル]オキシ}-4,11-ジヒドロキシ-3a,3b,6,6,9a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-6-メチルヘプタ-5-エン-2-イル]オキシ}-6-({[(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}メチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,4S,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • [20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7β,12β-dihydroxy-5α-dammar-5,24-dien-3β-yl]2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • キンクエノシドIV
  • Quinquenoside IV
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM