15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate

Also Known As: Cid 127619|KST-1A8478|15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene|[(2s,3as,4s,5ar,9ar,10as)-3a-hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydrospiro[4,10-methano[1,3]dioxolo[4,5-c][1]benzoxepine-11,2'-oxiran]-9a(5ah)-yl]methyl acetate|[(2R,7R,9S,10S,12S,14S)-10-Hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate|15-acetoxy-3|A-hydroxy-3|A,4|A-O,O-ethylidene-12,13-epoxytrichothec-9-ene|(3a-Hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydro-2H-spiro[4,10-methano[1,3]dioxolo[4,5-c][1]benzoxepine-11,2'-oxiran]-9a(5aH)-yl)methyl acetate|[(2S,3aS,4S,5aR,9aR,10aS)-3a-Hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydro-2H-spiro[4,10-methano[1,3]dioxolo[4,5-c][1]benzoxepine-11,2'-oxiran]-9a(5aH)-yl]methyl acetate|Trichothec-9-ene-3,3,4,15-tetrol, 12,13-epoxy-, cyclic 3,4-(ethylidene acetal), 15-acetate, (3beta(S),4beta)-

Molecular Formula	C19H26O7
Molecular Weight	366.16785 g/mol
LogP	0.2
Topological Polar Surface Area	86.8 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	366.16785
Monoisotopic Mass	366.16785
Heavy Atoms	26
Complexity	706.0

Chemical Identifiers

CAS Number	83709-97-1
SMILES	C[C@H]1O[C@@H]2[C@](O1)([C@@H]3C4(C2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)C)C)CO4)O
InChIKey	WRFNZQVIXFWODS-GITKUUESSA-N