| SpectraBase Compound ID | qGucG4kCBa |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5)12-11-23(33)27(3,4)24(28)21(32)18-30(22,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22?,23-,24-,28+,29+,30+,31-/m0/s1 |
| InChIKey | VPJPXMDBFYMWJB-SNUGZXFBSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnMSJtX02Zc |
|---|---|
| Name | METHYL-3-EPI-SUMARESINOLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5)12-11-23(33)27(3,4)24(28)21(32)18-30(22,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22?,23-,24-,28+,29+,30+,31-/m0/s1 |
| InChIKey | VPJPXMDBFYMWJB-SNUGZXFBSA-N |
| Literature Reference Author | W.R.CHAN,V.SHEPPARD,K.A.MEDFORD,W.F.TINTO,W.F.REYNOLDS,S.MCL EAN |
| Literature Reference Citation | J.NAT.PROD.,55,963(1992) |
| Literature Reference DOI | 10.1021/np50085a020 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5662 |