CAS: 100007-55-4 - etoposide glucuronide

Formula: C₃₅H₃₉O₁₉

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: InChIKey=URCVASXWNJQAEH-HDWVWLDDSA-N

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

Synonyms:

• (2S,3S,4S,5R,6S)-6-(4-{(5R,5aR,8aR,9S)-9-[(7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl}-2,6-dimethoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate (non-preferred name)
• 4-(9-{[2-deoxy-4,6-O-(hydroxymethylidene)-2-methylhexopyranosyl]oxy}-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl)-2,6-dimethoxyphenyl hexopyranosiduronic acid
• 4-[(5R,5aR,8aR,9S)-9-[(4,6-O-(1R)-Ethylidene-β-<span class="text-smallcaps">D</smallcap>-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-<smallcap>D</span>-glucopyranosiduronic acid
• Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole, β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid deriv.
• Pyrano[3,2-d]-1,3-dioxin, β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid deriv.
• beta-D-Glucopyranosiduronic acid, 4-(9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,5a,6,8,8a,9-hexahydro-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-diozol-5-yl)-2,6-dimethoxyphenyl, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-
• β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, 4-[(5R,5aR,8aR,9S)-9-[(4,6-O-(1R)-ethylidene-β-<smallcap>D</span>-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-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, 4-[9-[(4,6-O-ethylidene-β-<smallcap>D</span>-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*)]]-

Etoposide Glucuronide

CAS: 100007-55-4

• Formula: C₃₅H₄₀O₁₉
• Color and Shape: White to Light Yellow Solid
• Molecular weight: 764.69