| SpectraBase Compound ID | 8QaHKpBRZx9 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | QGMNTKNSMLYTKS-COPORTMHSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxuuKSq3oNf |
|---|---|
| Name | DEMETHYLREGELIN |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | QGMNTKNSMLYTKS-COPORTMHSA-N |
| Literature Reference Author | Y.TAKAISHI,N.WARIISHI,H.TATEISHI,K.KAWAZOE,K.NAKANO,Y.ONO,H. TOKUDA,H.NISHINO,A.I |
| Literature Reference Citation | PHYTOCHEM.,45,969(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00859-X |
| Molecular Weight | 470.693 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA1069 |