| SpectraBase Compound ID | HDUEgfZoKv |
|---|---|
| InChI | InChI=1S/C37H57NO12/c1-8-10-11-12-15-19-27(41)47-31-29-28(23(4)30(31)48-33(42)22(3)9-2)32-37(45,36(7,44)34(43)49-32)25(21-35(29,6)50-24(5)39)46-26(40)18-16-13-14-17-20-38/h9,25,29-32,44-45H,8,10-21,38H2,1-7H3/b22-9-/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1 |
| InChIKey | SIEDIZMEAXOTQU-ZYCZBHKHSA-N |
| Mol Weight | 707.9 g/mol |
| Molecular Formula | C37H57NO12 |
| Exact Mass | 707.388076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ghtFyrODDz |
|---|---|
| Name | 8-O-(7-AMINOHEPTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 6G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H57NO12 |
| InChI | InChI=1S/C37H57NO12/c1-8-10-11-12-15-19-27(41)47-31-29-28(23(4)30(31)48-33(42)22(3)9-2)32-37(45,36(7,44)34(43)49-32)25(21-35(29,6)50-24(5)39)46-26(40)18-16-13-14-17-20-38/h9,25,29-32,44-45H,8,10-21,38H2,1-7H3/b22-9-/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1 |
| InChIKey | SIEDIZMEAXOTQU-ZYCZBHKHSA-N |
| Literature Reference Author | C.M.JAKOBSEN,S.R.DENMEADE,J.T.ISAACS,A.GADY,C.E.OLSEN,S.B.CH RISTENSEN |
| Literature Reference Citation | J.MED.CHEM.,44,4696(2001) |
| Literature Reference DOI | 10.1021/jm010985a |
| Molecular Weight | 707.859 g/mol |
| Sample ID | 45254 |
| Solvent | CDCl3 |