Diacetoxyscirpenol

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

ID: Reference6190

Other Names: 12,13-Epoxytrichothec-9-ene-3α,4β,15-triol 4,15-diacetate;
4,15-Di-O-Acetylscirpenol;
4,15-Diacetoxyscirp-9-en-3-ol;
4,15-Diacetoxyscirpen-3-ol;
4,15-Diacetoxyscirpenol ; more

Formula: C19H26O7

Class: Natural Toxins

Spectral Data

Diacetoxyscirpenol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4337
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/21/2016 8:48:29 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1
InChI Key AUGQEEXBDZWUJY-ZLJUKNTDSA-N
Canonical SMILES CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
CAS
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Other Names 12,13-Epoxytrichothec-9-ene-3α,4β,15-triol 4,15-diacetate;
4,15-Di-O-Acetylscirpenol;
4,15-Diacetoxyscirp-9-en-3-ol;
4,15-Diacetoxyscirpen-3-ol;
4,15-Diacetoxyscirpenol;
Anguidin;
Anguidine;
Scirp-9-ene-3α,4β,15-triol, 4,15-diacetate;
Scirpenetriol 4,15-diacetate;
Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy, 4,15-diacetate;
3-α-Hydroxy-4-β,15-diacetoxy-12,13-epoxytrichothec-9-ene;
4β,15-Diacetoxy-3α-hydroxy-12,13-epoxytrichothec-9-ene;
Trichothec-9-ene, 12,13-epoxy-4β,15-diazetoxy-3α-hydroxy-

In Other Databases

ChEBI CHEBI:4478
ChemSpider 82639
PubChem 91518
KEGG C09662
ChemIDPlus 002270408
Wikipedia Diacetoxyscirpenol
ChEMBL CHEMBL2005379