| SpectraBase Compound ID | HKMPDhBh3iU |
|---|---|
| InChI | InChI=1S/C30H42O12/c1-9-12-19(32)38-18-14-28(7,42-17(6)31)22-21(25-30(18,37)29(8,36)27(35)41-25)16(5)23(40-26(34)15(4)11-3)24(22)39-20(33)13-10-2/h11,18,22-25,36-37H,9-10,12-14H2,1-8H3/b15-11-/t18-,22+,23-,24-,25-,28-,29+,30+/m0/s1 |
| InChIKey | OQHLHYFMMVYVRR-NYYYGNQTSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C30H42O12 |
| Exact Mass | 594.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk6KBeTSLbU |
|---|---|
| Name | THAPSIVILLOSIN-L |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O12 |
| InChI | InChI=1S/C30H42O12/c1-9-12-19(32)38-18-14-28(7,42-17(6)31)22-21(25-30(18,37)29(8,36)27(35)41-25)16(5)23(40-26(34)15(4)11-3)24(22)39-20(33)13-10-2/h11,18,22-25,36-37H,9-10,12-14H2,1-8H3/b15-11-/t18-,22+,23-,24-,25-,28-,29+,30+/m0/s1 |
| InChIKey | OQHLHYFMMVYVRR-NYYYGNQTSA-N |
| Literature Reference Author | H.LIU,K.G.JENSEN,L.M.TRAN,M.CHEN,L.ZHAI,C.E.OLSEN,H.SOHOEL,S .R.DENMEADE,J.T.ISAA |
| Literature Reference Citation | PHYTOCHEM.,67,2651(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.10.005 |
| Molecular Weight | 594.656 g/mol |
| Sample ID | 67165 |
| Solvent | CDCl3 |