| SpectraBase Compound ID | 5GcpC2pER0f |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-26(2)21-10-13-30(6)22(28(21,4)12-11-23(26)32)9-8-19-20-18-27(3,25(35)36-7)14-16-31(20,24(33)34)17-15-29(19,30)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20?,21?,22?,23-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | BZXSGMYHHGCPEN-FFHUEJMMSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C31H48O5 |
| Exact Mass | 500.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKgrMYEhwJT |
|---|---|
| Name | METHYL-SPERGULAGENATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-26(2)21-10-13-30(6)22(28(21,4)12-11-23(26)32)9-8-19-20-18-27(3,25(35)36-7)14-16-31(20,24(33)34)17-15-29(19,30)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20?,21?,22?,23-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | BZXSGMYHHGCPEN-FFHUEJMMSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 500.719 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1328 |