| SpectraBase Compound ID | CyvWeCmGQdp |
|---|---|
| InChI | InChI=1S/C41H65NO12/c1-8-10-11-16-19-23-31(45)51-35-33-32(27(4)34(35)52-37(46)26(3)9-2)36-41(49,40(7,48)38(47)53-36)29(25-39(33,6)54-28(5)43)50-30(44)22-20-17-14-12-13-15-18-21-24-42/h9,29,33-36,48-49H,8,10-25,42H2,1-7H3/b26-9-/t29-,33+,34-,35-,36-,39-,40+,41+/m0/s1 |
| InChIKey | ULNCMCAIDVKPTC-JPBCDETJSA-N |
| Mol Weight | 764.0 g/mol |
| Molecular Formula | C41H65NO12 |
| Exact Mass | 763.450677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90qyIEVk1dU |
|---|---|
| Name | 8-O-(11-AMINOUNDECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 6I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65NO12 |
| InChI | InChI=1S/C41H65NO12/c1-8-10-11-16-19-23-31(45)51-35-33-32(27(4)34(35)52-37(46)26(3)9-2)36-41(49,40(7,48)38(47)53-36)29(25-39(33,6)54-28(5)43)50-30(44)22-20-17-14-12-13-15-18-21-24-42/h9,29,33-36,48-49H,8,10-25,42H2,1-7H3/b26-9-/t29-,33+,34-,35-,36-,39-,40+,41+/m0/s1 |
| InChIKey | ULNCMCAIDVKPTC-JPBCDETJSA-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 | 763.967 g/mol |
| Sample ID | 45256 |
| Solvent | CDCl3 |