![8-O-(6-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/5wan493TTmh/structure.png?h=300&w=458 "8-O-(6-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | 7A2fskhUM5A |
|---|---|
| InChI | InChI=1S/C47H74N2O15/c1-13-15-16-17-19-23-34(52)60-38-36-35(29(6)37(38)61-41(54)28(5)14-2)39-47(58,46(12,57)42(55)62-39)32(26-45(36,11)63-30(7)50)59-33(51)22-20-18-21-24-48-40(53)31(25-27(3)4)49-43(56)64-44(8,9)10/h14,27,31-32,36-39,57-58H,13,15-26H2,1-12H3,(H,48,53)(H,49,56)/b28-14-/t31-,32-,36+,37-,38-,39-,45-,46+,47+/m0/s1 |
| InChIKey | MANUHOLHIBXAEC-XJCNRAPHSA-N |
| Mol Weight | 907.1 g/mol |
| Molecular Formula | C47H74N2O15 |
| Exact Mass | 906.50892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wan493TTmh |
|---|---|
| Name | 8-O-(6-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 17 K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74N2O15 |
| InChI | InChI=1S/C47H74N2O15/c1-13-15-16-17-19-23-34(52)60-38-36-35(29(6)37(38)61-41(54)28(5)14-2)39-47(58,46(12,57)42(55)62-39)32(26-45(36,11)63-30(7)50)59-33(51)22-20-18-21-24-48-40(53)31(25-27(3)4)49-43(56)64-44(8,9)10/h14,27,31-32,36-39,57-58H,13,15-26H2,1-12H3,(H,48,53)(H,49,56)/b28-14-/t31-,32-,36+,37-,38-,39-,45-,46+,47+/m0/s1 |
| InChIKey | MANUHOLHIBXAEC-XJCNRAPHSA-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 | 907.109 g/mol |
| Sample ID | 45266 |
| Solvent | CDCl3 |