Neosolaniol
6176
Reference
Neosolaniol Structure
Systematic / IUPAC Name: (3β,4α,8α,11ξ,12R)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
ID: Reference6176
Other Names: Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (2α,3α,4β,6β,8β,11ξ)-
Formula: C19H26O8
Class: Natural Toxins
Spectral Data
Neosolaniol 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 | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 308 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 12/15/2016 2:01:45 PM |
Identificators
| InChI | InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13?,14+,15+,16+,17+,18+,19+/m0/s1 |
| InChI Key | TVZHDVCTOCZDNE-TYCSSJOFSA-N |
| Canonical SMILES | CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| CAS | |
| Splash | |
| Other Names | Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (2α,3α,4β,6β,8β,11ξ)- |