chempirical

Etoposide

C29H32O13CAS 33419-42-0588.56 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactonePhenol

Properties

Molecular formula
C29H32O13
Molar mass
588.56 g/mol
Exact mass
588.1843 Da
Melting point
236–251 °C
logP
1.34Crippen estimate
Polar surface area
160.8 Ų
H-bond donors / acceptors
3 / 13
Rotatable bonds
5
Stereocentres
R, S, R, R, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
33419-42-0
SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
InChIKey
VJJPUSNTGOMMGY-MRVIYFEKSA-N
InChI
InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

36 names · show all
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(1R)-ethylidene-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-
  • Epipodophyllotoxin, 4′-demethyl-, 4,6-O-ethylidene-β-D-glucopyranoside
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(4,6-O-ethylidene-β-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-[5α,5aβ,8aα,9β(R*)]]-
  • Pyrano[3,2-d]-1,3-dioxin, furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one deriv.
  • (5R,5aR,8aR,9S)-9-[[4,6-O-(1R)-Ethylidene-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • 4′-Demethyl-1-O-[4,6-O-(ethylidene)-β-D-glucopyranosyl]epipodophyllotoxin
  • 4′-Demethylepipodophyllotoxin ethylidene-β-D-glucoside
  • VP 16-213
  • NSC 141540
  • 4′-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-β-D-glucopyranoside)
  • VP 16
  • (-)-Etoposide
  • VP 16-123
  • VePesid
  • Lastet
  • Zuyeyidal
  • trans-Etoposide
  • VP 16 (pharmaceutical)
  • EPE
  • Epipodophyllotoxin VP 16213
  • Vepesid J
  • Toposar
  • Celltop
  • Eto-gry
  • Etosid
  • Fytosid
  • Eposin
  • Sintopozid
  • Eposed
  • Fytop
  • Nzytop
  • Topok
  • Beposid
  • Bioposide
  • Ethopul
  • Toposide

Work with Etoposide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Etoposide phosphate117091-64-280 % similar Teniposide29767-20-275 % similar Podophyllotoxin glucoside16481-54-266 % similar 4′-Demethylpodophyllotoxin40505-27-960 % similar Picropodophyllin477-47-451 % similar Podophyllotoxin518-28-551 % similar Acanthoside B7374-79-037 % similar 4,6-O-Ethylidene-α-D-glucopyranose13224-99-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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