Deacylpolymyxin B
16-hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
Also Known As: Deacylpolymyxin B|Sterigmatocystin 1,2-oxide|Sterigmatocystin-1,2-epoxide|16-Hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one|4-Hydroxy-6-methoxy-8a,9a,10a,10b-tetrahydro-5H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-5-one|5H-Oxireno(4',5')furo(3',2':4,5)furo(2,3-c)xanthen-5-one,8a,9a,10a,10b-tetrahydro-4-hydroxy-6-methoxy-, (8aS-(8aalpha,9abeta,10abeta,10balpha))-|5H-OXIRENO(4',5')FURO(3',2':4,5)FURO[2,3-C]XANTHEN-5-ONE,8A,9A,10A,10B-TETRAHYDRO-4-HYDROXY-6-METHOXY-,(8AS- (8AA,9ASS,10ASS,10BA))-|7-Hydroxy-5-methoxy-1a,2a,11c,11d-tetrahydro-6H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-6-one
| Molecular Formula | C18H12O7 |
|---|---|
| Molecular Weight | 340.0583 g/mol |
| LogP | 2.2176 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.0583 |
| Monoisotopic Mass | 340.0583 |
| Heavy Atoms | 25 |
| Complexity | 1131.908 |
Chemical Identifiers
| CAS Number | 76014-27-2 |
|---|---|
| SMILES | COC1=C2C(=C3C4C5C(O5)OC4OC3=C1)OC6=CC=CC(=C6C2=O)O |
Product Overview
Deacylpolymyxin B (CAS 76014-27-2), with molecular formula C18H12O7 and molecular weight 340.0583 g/mol. IUPAC: 16-hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one.