![6-O-[6''-(S)-HYDROXY-2'',6''-DIMETHYL-2''-(E),7''-OCTADIENYL]-CATAPOL](/api/spectrum/LwnDoSQYQc6/structure.png?h=300&w=458 "6-O-[6''-(S)-HYDROXY-2'',6''-DIMETHYL-2''-(E),7''-OCTADIENYL]-CATAPOL")
| SpectraBase Compound ID | 9TvMW4n4O59 |
|---|---|
| InChI | InChI=1S/C25H36O12/c1-4-24(3,32)8-5-6-12(2)21(31)35-19-13-7-9-33-22(15(13)25(11-27)20(19)37-25)36-23-18(30)17(29)16(28)14(10-26)34-23/h4,6-7,9,13-20,22-23,26-30,32H,1,5,8,10-11H2,2-3H3/b12-6+/t13?,14-,15?,16-,17+,18-,19-,20-,22-,23+,24?,25+/m0/s1 |
| InChIKey | FKDUQAHRYHURCM-ZCWXDXDXSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C25H36O12 |
| Exact Mass | 528.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwnDoSQYQc6 |
|---|---|
| Name | 6-O-[6''-(S)-HYDROXY-2'',6''-DIMETHYL-2''-(E),7''-OCTADIENYL]-CATAPOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O12 |
| InChI | InChI=1S/C25H36O12/c1-4-24(3,32)8-5-6-12(2)21(31)35-19-13-7-9-33-22(15(13)25(11-27)20(19)37-25)36-23-18(30)17(29)16(28)14(10-26)34-23/h4,6-7,9,13-20,22-23,26-30,32H,1,5,8,10-11H2,2-3H3/b12-6+/t13?,14-,15?,16-,17+,18-,19-,20-,22-,23+,24?,25+/m0/s1 |
| InChIKey | FKDUQAHRYHURCM-ZCWXDXDXSA-N |
| Literature Reference Author | R.L.ARSLANIAN,T.ANDERSON,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1485(1990) |
| Literature Reference DOI | 10.1021/np50072a013 |
| Molecular Weight | 528.554 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS23211 |