70402-13-0
TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3-ACETATE, (3ALPHA,4BETA)-
NameTRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3-ACETATE, (3ALPHA,4BETA)-
1Identification
【Name】
TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3-ACETATE, (3ALPHA,4BETA)-
【CAS】
【MDL】
MFCD02314050
【English Synonyms】
【Formula】
C17 H24 O6
【MolWeight】
324.371
【Inchi】
InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1
【InChIKey】
InChIKey=NFFRTZSZVQIMDJ-OINWIYPRSA-N
【SMILES】
CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)O)C)CO
【MOL File】
TRICHOTHEC-9-ENE-3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3-ACETATE, (3ALPHA,4BETA)-.cml