chempirical

Teniposide

C32H32O13SCAS 29767-20-2656.66 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactonePhenol

Properties

Molecular formula
C32H32O13S
Molar mass
656.66 g/mol
Exact mass
656.1564 Da
Melting point
242–246 °C
logP
2.75Crippen estimate
Polar surface area
160.8 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
6
Stereocentres
R, S, R, R, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
29767-20-2
SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
InChIKey
NRUKOCRGYNPUPR-QBPJDGROSA-N
InChI
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]-β-D-glucopyranosyl]oxy]-, (5R,5aR,8aR,9S)-
  • Epipodophyllotoxin, 4′-demethyl-, 9-(4,6-O-2-thenylidene-β-D-glucopyranoside)
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-β-D-glucopyranosyl]oxy]-, [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)-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]-β-D-glucopyranosyl]oxy]furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • VM 26
  • NSC 122819
  • EPT
  • Vehem
  • Vumon
  • Vehem-sandoz
  • S 122819
  • Tenoposide

Work with Teniposide

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

Etoposide33419-42-075 % similar Etoposide phosphate117091-64-261 % similar Podophyllotoxin glucoside16481-54-259 % similar 4′-Demethylpodophyllotoxin40505-27-956 % similar Picropodophyllin477-47-447 % similar Podophyllotoxin518-28-547 % similar Methyl 4,6-O-benzylidene-α-D-glucopyranoside3162-96-734 % similar Acanthoside B7374-79-034 % similar

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

Elsewhere

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