3-acetyl T-2 toxin
Chemical Formula:
C26H36O10
Molecular Weight:
508.564 Daltons
Monoisotopic Mass:
508.23084737659997 Daltons
SMILES:
CC(C)CC(=O)OC2(CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=C(C)2)C3(OC3)4)(C)))
InChI:
1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19?,21+,22+,23?,24?,25+,26?/m0/s1
InChIKey:
Synonyms
- acetyl T-2
- 3-acetyl T-2
Databases
MetaCyc:
CPD-18415
PubChem (CID):
102515027
ChemSpider:
2299175
MetaNetX:
MNXM164209