Chem
J-GLOBAL ID:200907079462278077   Nikkaji number:J2.773.498G

Etoposide glucuronide

エトポシドグルクロニド
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: C35H40O19
Molecular formula furigana: C35-H40-O19
Molecular weight: 764.686
InChI: InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28-,30-,31+,34+,35-/m1/s1
InChI key: URCVASXWNJQAEH-HDWVWLDDSA-N
SMILES: COc1cc(cc(OC)c1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Systematic name  (3):
  • 4-[(5R,5aR,8aR,9S)-9-[4-O,6-O-[(R)-エチリデン]-β-D-グルコピラノシルオキシ]-5,5a,6,8,8a,9-ヘキサヒドロ-6-オキソフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-5-イル]-2,6-ジメトキシフェニルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6S)-6-{4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-ジヒドロキシ-2-メチル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-12-オキソ-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-10-イル]-2,6-ジメトキシフェノキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-{4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-10-yl]-2,6-dimethoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (4):
  • 4-[(5R,5aR,8aR,9S)-9-[4-O,6-O-[(R)-Ethylidene]-β-D-glucopyranosyloxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-5-yl]-2,6-dimethoxyphenyl β-D-glucopyranosiduronic acid
  • Glucuronosyletoposide
  • Etoposide glucuronide
  • エトポシドグルクロニド
CAS registry number: 100007-55-4
KEGG COMPOUND: C11245
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