| SpectraBase Compound ID | 3lWcoLqx09g |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-18-11-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)9-10-24-29(6)17-22(37-20(3)33)26(34)28(4,5)23(29)12-13-31(24,30)8/h9,18-19,22-26,34H,10-17H2,1-8H3,(H,35,36)/t18-,19+,22-,23+,24-,25+,26-,29+,30-,31-,32+/m1/s1 |
| InChIKey | GJRGKZWNIQVOIY-KQLVRELCSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 596tE3cx80s |
|---|---|
| Name | 3-EPI-CECROPIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-18-11-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)9-10-24-29(6)17-22(37-20(3)33)26(34)28(4,5)23(29)12-13-31(24,30)8/h9,18-19,22-26,34H,10-17H2,1-8H3,(H,35,36)/t18-,19+,22-,23+,24-,25+,26-,29+,30-,31-,32+/m1/s1 |
| InChIKey | GJRGKZWNIQVOIY-KQLVRELCSA-N |
| Literature Reference Author | P.KHIEV,O.K.KWON,H.H.SONG,S.R.OH,K.S.AHN,H.K.LEE,Y.W.CHIN |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,955(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00012 |
| Molecular Weight | 514.746 g/mol |
| Source File Reference | UWBT4476 |