Monocrotaline, alpha-epoxide

5,6-dihydroxy-5,6,7-trimethyl-3,9,16-trioxa-13-azatetracyclo[8.6.1.01,15.013,17]heptadecane-4,8-dione

Also Known As: Monocrotaline, alpha-epoxide|Monocrotaline, .alpha.-epoxide|(1alpha,2alpha,13alpha,14alpha)-1,2-Epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione|1,2-Epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione (1alpha,2alpha,13alpha,14alpha)-|20-Norcrotalanan-11,15-dione, 1,2-epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-, (1alpha,2alpha,13alpha,14alpha)-|9,10-dihydroxy-8,9,10-trimethyloctahydro-7h-[1,6]dioxacycloundecino[2,3,4-gh]oxireno[a]pyrrolizine-7,11(8h)-dione|20-Norcrotalanan-11, 1,2-epoxy-14,19-dihydro-12,13-dihydroxy-, (1.beta.,2.beta.,13.alpha.,14.alpha.)-|20-Norcrotalanan-11,15-dione, 1,2-epoxy-14,19-dihydro-12,13-dihydroxy-, (1.alpha.,2.alpha.,13.alpha.,14.alpha.)-|9,10-Dihydroxy-8,9,10-trimethyloctahydro-7H,13H-[1,6]dioxacycloundecino[2,3,4-gh]oxireno[a]pyrrolizine-7,11(8H)-dione

Molecular Formula	C16H23NO7
Molecular Weight	341.14746 g/mol
LogP	-0.9
Topological Polar Surface Area	109.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	0
Exact Mass	341.14746
Monoisotopic Mass	341.14746
Heavy Atoms	24
Complexity	611.0

Chemical Identifiers

CAS Number	3210-15-9
SMILES	CC1C(=O)OC2CCN3C2C4(COC(=O)C(C1(C)O)(C)O)C(C3)O4
InChIKey	HYJVJRUXRDRLNM-UHFFFAOYSA-N