| SpectraBase Compound ID | AZSXXy7OxOH |
|---|---|
| InChI | InChI=1S/C38H38N6O11S4/c1-16(53-18(3)45)35-31(51)43-27-33(21-12-8-10-14-23(21)39-27,25(48)37(43,58-56-35)29(49)41(35)6)34-22-13-9-11-15-24(22)40-28(34)44-32(52)36(17(2)54-19(4)46)42(7)30(50)38(44,59-57-36)26(34)55-20(5)47/h8-17,25-28,39-40,48H,1-7H3/t16?,17?,25-,26-,27+,28+,33?,34?,35-,36-,37-,38-/m0/s1 |
| InChIKey | SMPRKMQEUJSSPT-NDOOAWNPSA-N |
| Mol Weight | 883.0 g/mol |
| Molecular Formula | C38H38N6O11S4 |
| Exact Mass | 882.148141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DJVr2lM3yj |
|---|---|
| Name | VERTICILLIN-D-TRIACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H38N6O11S4 |
| InChI | InChI=1S/C38H38N6O11S4/c1-16(53-18(3)45)35-31(51)43-27-33(21-12-8-10-14-23(21)39-27,25(48)37(43,58-56-35)29(49)41(35)6)34-22-13-9-11-15-24(22)40-28(34)44-32(52)36(17(2)54-19(4)46)42(7)30(50)38(44,59-57-36)26(34)55-20(5)47/h8-17,25-28,39-40,48H,1-7H3/t16?,17?,25-,26-,27+,28+,33?,34?,35-,36-,37-,38-/m0/s1 |
| InChIKey | SMPRKMQEUJSSPT-NDOOAWNPSA-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 | 882.993 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP7847 |