Back to Search
Etoposide
CAS: 33419-42-0 | C29H32O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33419-42-0
Molecular Formula:
C29H32O13
Molecular Mass:
588.56 g/mol
Names and Synonyms:
Etoposide
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
Etoposide
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
Identifiers:
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
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
Key Properties
Melting Point
236-251 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 588.56 g/mol | CAS Common Chemistry |
| 588.5620000000004 g/mol | RDKit | |
| 588.1842910839998 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC2C(OC3OC4COC(OC4C(O)C3O)C)C5=CC=6OCOC6C=C5C(C7=CC(OC)=C(O)C(OC)=C7)C12 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VJJPUSNTGOMMGY-MRVIYFEKSA-N | CAS Common Chemistry |
| Melting Point | 236-251 °C | CAS Common Chemistry |
| Name | Etoposide | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 13 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 160.83 Ų | RDKit |
| LogP | 1.3385999999999993 | RDKit |
| Molar Refractivity | 138.34539999999996 | RDKit |
