SpectraBase Compound ID | 8cwqFysccVB |
---|---|
InChI | InChI=1S/C32H28N6O8S4/c1-13(39)29-25(45)37-21-27(15-9-5-7-11-17(15)33-21,19(41)31(37,49-47-29)23(43)35(29)3)28-16-10-6-8-12-18(16)34-22(28)38-26(46)30(14(2)40)36(4)24(44)32(38,20(28)42)50-48-30/h5-12,19-22,33-34,41-42H,1-4H3/t19-,20-,21+,22+,27?,28?,29-,30-,31-,32-/m0/s1 |
InChIKey | NZMULNGUSBQWIQ-UJOSMEJKSA-N |
Mol Weight | 752.8 g/mol |
Molecular Formula | C32H28N6O8S4 |
Exact Mass | 752.085147 g/mol |
SpectraBase Spectrum ID | Kfi94gmPfUU |
---|---|
Name | VERTICILLIN-E |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C32H28N6O8S4 |
InChI | InChI=1S/C32H28N6O8S4/c1-13(39)29-25(45)37-21-27(15-9-5-7-11-17(15)33-21,19(41)31(37,49-47-29)23(43)35(29)3)28-16-10-6-8-12-18(16)34-22(28)38-26(46)30(14(2)40)36(4)24(44)32(38,20(28)42)50-48-30/h5-12,19-22,33-34,41-42H,1-4H3/t19-,20-,21+,22+,27?,28?,29-,30-,31-,32-/m0/s1 |
InChIKey | NZMULNGUSBQWIQ-UJOSMEJKSA-N |
Literature Reference Author | B.K.JOSHI,J.B.GLOER,D.T.WICKLOW |
Literature Reference Citation | J.NAT.PROD.,62,730(1999) |
Literature Reference DOI | 10.1021/np980530x |
Molecular Weight | 752.850 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWCP7846 |