| SpectraBase Compound ID | FDlDwWbT1ha |
|---|---|
| InChI | InChI=1S/C42H65NO14/c1-11-13-14-15-18-22-30(46)53-34-32-31(26(4)33(34)54-36(47)25(3)12-2)35-42(51,41(10,50)37(48)55-35)28(24-40(32,9)56-27(5)44)52-29(45)21-19-16-17-20-23-43-38(49)57-39(6,7)8/h12,28,32-35,50-51H,11,13-24H2,1-10H3,(H,43,49)/b25-12-/t28-,32+,33-,34-,35-,40-,41+,42+/m0/s1 |
| InChIKey | XGYRUNFHSRJRJR-GZHGBNTOSA-N |
| Mol Weight | 808.0 g/mol |
| Molecular Formula | C42H65NO14 |
| Exact Mass | 807.440506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HV2ueZNOblu |
|---|---|
| Name | 8-O-(7-TERT.-BUTOXYCARBONYLAMINOHEPTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 13G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H65NO14 |
| InChI | InChI=1S/C42H65NO14/c1-11-13-14-15-18-22-30(46)53-34-32-31(26(4)33(34)54-36(47)25(3)12-2)35-42(51,41(10,50)37(48)55-35)28(24-40(32,9)56-27(5)44)52-29(45)21-19-16-17-20-23-43-38(49)57-39(6,7)8/h12,28,32-35,50-51H,11,13-24H2,1-10H3,(H,43,49)/b25-12-/t28-,32+,33-,34-,35-,40-,41+,42+/m0/s1 |
| InChIKey | XGYRUNFHSRJRJR-GZHGBNTOSA-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 | 807.976 g/mol |
| Sample ID | 45249 |
| Solvent | CDCl3 |