| SpectraBase Compound ID | 9hddDfUVqyG |
|---|---|
| InChI | InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32?,33?,34?,35-,36+,37-,38-,39-,40-,41+,44-,45-,46+/m0/s1 |
| InChIKey | JAYJEXYYCNLGOQ-CZVWQAJMSA-N |
| Mol Weight | 1140.4 g/mol |
| Molecular Formula | C55H97N9O16 |
| Exact Mass | 1139.705328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWors63xwO9 |
|---|---|
| Name | MASSETOLIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H97N9O16 |
| InChI | InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32?,33?,34?,35-,36+,37-,38-,39-,40-,41+,44-,45-,46+/m0/s1 |
| InChIKey | JAYJEXYYCNLGOQ-CZVWQAJMSA-N |
| Literature Reference Author | J.GERARD,R.LLOYD,T.BARSBY,P.HADEN,M.T.KELLY,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,60,223(1997) |
| Literature Reference DOI | 10.1021/np9606456 |
| Molecular Weight | 1140.426 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWKP68 |