2,3-Epoxyaflatoxin B1

(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione

Also Known As: 2,3-Epoxyaflatoxin B1|AFB epoxide|Aflatoxin B1 epoxide|Aflatoxin B1-2,3-oxide|Aflatoxin B1 2,3-epoxide|Aflatoxin B1 8,9-epoxide|Aflatoxin B1 exo-8,9-oxide|Aflatoxin B1 8,9-oxide|aflatoxin B1-8,9-epoxide|AFB1-2,3-oxide|aflatoxin B1 exo-8,9-epoxide|exo-Aflatoxin B1-8,9-epoxide|8,9-Epoxyaflatoxin B1|AFB1-exo-8,9-epoxide|8,9-epoxy-aflatoxin B1|Aflatoxin B1 2,3-oxide|Aflatoxin B1, 2,3-oxide|Aflatoxin B1-exo-8,9-epoxide|SID:53787491|(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione|(6aS,7aS,8aR,8bR)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclope|Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-|Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS,7aS,8aR,8bR)-|Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS-(6a-alpha,7a-beta,8a-beta,8b-alpha))-|(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.0^{2,10}.0^{3,8}.0^{4,6}.0^{14,18}]icosa-1,10,12,14(18)-tetraene-17,19-dione|(6aS)-2,3,6aalpha,7abeta,8abeta,8balpha-Hexahydro-4-methoxycyclopent[c]oxireno[4 ,5 ]furo[3 ,2 :4,5]furo[2,3-h][1]benzopyran-1,10-dione|(6aS,7aS,8aR,8bR)-2,3,6a,7a,8a,8b-hexahydro-4-methoxy-Cyclopent[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,10-dione|(6aS,7aS,8aR,8bR)-2,3,6a,7a,8a,8b-Hexahydro-4-methoxycyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione|(6aS,7aS,8aR,8bR)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,10-dione|(6aS,7aS,8aR,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione|[6aS-(6aa,7ab,8ab,8ba)]-2,3,6a,7a,8a,8b-hexahydro-4-methoxy-Cyclopent[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,10-dione|1,2,6b,6c,7a,8a-Hexahydro-10-methoxycyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-g)(1)benzopyran-3,4-dione|4-Methoxy-2,3,6aalpha,8,9,9aalpha-hexahydro-8alpha,9alpha-epoxycyclopenta[c]furo[3 ,2 :4,5]furo[2,3-h][1]benzopyran-1,11-dione

Molecular Formula	C17H12O7
Molecular Weight	328.0583 g/mol
LogP	1.49
Topological Polar Surface Area	87.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	328.0583
Heavy Atoms	24
Complexity	1004.4

Chemical Identifiers

CAS Number	42583-46-0
SMILES	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@@H]6[C@@H](O6)O[C@@H]5OC4=C1