Verrucarol
2001
Reference
Verrucarol Structure
Systematic / IUPAC Name: (4α,12ξ)-12,13-Epoxytrichothec-9-ene-4,15-diol
ID: Reference2001
Other Names: 4β,15-Dihydroxy-12,13-epoxytrichothec-9-ene
Formula: C15H22O4
Class: Natural Toxins Endogenous Metabolites
Spectral Data
Verrucarol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/8/2015 7:08:11 AM |
Identificators
| InChI | InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13?,14-,15?/m1/s1 |
| InChI Key | ZSRVBNXAPSQDFY-CXOCQXMISA-N |
| Canonical SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)CO |
| CAS | 2198927 |
| Splash | |
| Other Names | 4β,15-Dihydroxy-12,13-epoxytrichothec-9-ene |