CID6443078

6-O-[1,5-dimethyl-2-(4-oxopentanoyloxymethyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 1-O-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl] (2E,4E)-hexa-2,4-dienedioate

Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-|Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methoxy-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2Z,4E,6(E)))-

Molecular Formula	C33H42O11
Molecular Weight	614.2727 g/mol
LogP	3.6485
Topological Polar Surface Area	144.03 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	614.2727
Monoisotopic Mass	614.2727
Heavy Atoms	44
Complexity	1286.1793

Chemical Identifiers

CAS Number	89015-88-3
SMILES	CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)/C=C/C=C/C(=O)OCC/C(=C/C(=O)OC)/C)C)COC(=O)CCC(=O)C