Etoposide glucuronide

CAS Registry Number®

100007-55-4

CAS Name

Etoposide glucuronide

Molecular Formula

C35H40O19

Molecular Mass

764.68

Cite this Page

Etoposide glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100007-55-4 (retrieved 2024-11-25) (CAS RN: 100007-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=URCVASXWNJQAEH-HDWVWLDDSA-N

SMILES

O=C1[C@@]2([C@@H](C=3C([C@@H](O[C@@H]4O[C@]5([C@]([C@H](O)[C@H]4O)(O[C@H](C)OC5)[H])[H])[C@]2(CO1)[H])=CC6=C(C3)OCO6)C7=CC(OC)=C(O[C@@H]8O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]8O)C(OC)=C7)[H]

Canonical SMILES

O=C(O)C1OC(OC2=C(OC)C=C(C=C2OC)C3C4=CC=5OCOC5C=C4C(OC6OC7COC(OC7C(O)C6O)C)C8COC(=O)C38)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[(5R,5aR,8aR,9S)-9-[(4,6-O-(1R)-ethylidene-β-D-glucopyranosyl)oxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-2,6-dimethoxyphenyl
  • β-D-Glucopyranosiduronic acid, 4-[9-[(4,6-O-ethylidene-β-D-glucopyranosyl)oxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-2,6-dimethoxyphenyl, [5R-[5α,5aβ,8aα,9β(R*)]]-
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole, β-D-glucopyranosiduronic acid deriv.
  • Pyrano[3,2-d]-1,3-dioxin, β-D-glucopyranosiduronic acid deriv.
  • 4-[(5R,5aR,8aR,9S)-9-[(4,6-O-(1R)-Ethylidene-β-D-glucopyranosyl)oxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-2,6-dimethoxyphenyl β-D-glucopyranosiduronic acid

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