Chem
J-GLOBAL ID:200907051252191040   Nikkaji number:J2.473.653I

Trikamsteroside E

トリカムステロシドE
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: C48H76O23
Molecular formula furigana: C48-H76-O23
Molecular weight: 1021.113
InChI: InChI=1S/C48H76O23/c1-18-13-65-48(39(59)31(18)54)25(12-49)30-28(71-48)11-24-22-6-5-20-9-21(51)10-29(46(20,4)23(22)7-8-45(24,30)3)67-43-38(36(27(53)15-63-43)68-41-34(57)33(56)26(52)14-62-41)70-42-35(58)37(32(55)19(2)66-42)69-44-40(60)47(61,16-50)17-64-44/h5,18-19,21-44,49-61H,6-17H2,1-4H3/t18-,19-,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-,47+,48-/m0/s1
InChI key: PAUALFMTFPEINK-BPIUXMDXSA-N
SMILES: C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)C(O)[C@@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2CO)[C@@H](O)[C@H]1O
Systematic name  (3):
  • (25S)-1β-[2-O-(3-O-D-アピオ-β-D-フラノシル-α-L-ラムノピラノシル)-3-O-β-D-キシロピラノシル-α-L-アラビノピラノシルオキシ]-3β,21,23α,24α-テトラヒドロキシスピロスタ-5-エン
  • (1'S,2S,2'S,3S,4S,4'S,5S,7'R,8'R,9'S,12'S,13'R,14'R,16'R)-14'-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-7'-(ヒドロキシメチル)-5,9',13'-トリメチル-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'-エン-3,4,16'-トリオール
  • (1'S,2S,2'S,3S,4S,4'S,5S,7'R,8'R,9'S,12'S,13'R,14'R,16'R)-14'-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-7'-(hydroxymethyl)-5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-ene-3,4,16'-triol
Other name (3):
  • (25S)-1β-[2-O-(3-O-D-Apio-β-D-furanosyl-α-L-rhamnopyranosyl)-3-O-β-D-xylopyranosyl-α-L-arabinopyranosyloxy]-3β,21,23α,24α-tetrahydroxyspirosta-5-ene
  • トリカムステロシドE
  • Trikamsteroside E
Thsaurus map:

Return to Previous Page