(3α,4β,8α)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate

enlarge

Systematic / IUPAC Name: (3α,4β,8α)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate

ID: Reference8028

Other Names: Trichothec-9-ene, 12,13-epoxy-4-β,15-diacetoxy-3-α,8-α-dihydroxy-;
Trichothec-9-ene-3-α,4-β,8-α,15-tetrol, 12,13-epoxy-, 4,15-diacetate

Formula: C19H26O8

Spectral Data

(3α,4β,8α)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 453
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2018 6:36:59 AM
View Mass Spec Data > >

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-WVJYZQHISA-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, 12,13-epoxy-4-β,15-diacetoxy-3-α,8-α-dihydroxy-;
Trichothec-9-ene-3-α,4-β,8-α,15-tetrol, 12,13-epoxy-, 4,15-diacetate

In Other Databases

PubChem 13818797
ChEMBL CHEMBL422680
ChemSpider 19970352