| SpectraBase Compound ID | GwKIo8X2NgS |
|---|---|
| InChI | InChI=1S/C33H50O9/c1-9-11-12-14-29(36)41-25-19-27(40-23(6)34)33(7)26(42-28(35)13-10-2)18-16-20(3)15-17-24(21(4)32(38)39-8)31(37)30(33)22(25)5/h15,17,21-22,25-27,30H,9-14,16,18-19H2,1-8H3/b20-15-,24-17-/t21-,22-,25-,26+,27+,30-,33+/m1/s1 |
| InChIKey | UVWRDRBYLQXPNW-CLWXDFGFSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C33H50O9 |
| Exact Mass | 590.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LSUJAMHfj5 |
|---|---|
| Name | BRIAREOLATEESTER-J |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O9 |
| InChI | InChI=1S/C33H50O9/c1-9-11-12-14-29(36)41-25-19-27(40-23(6)34)33(7)26(42-28(35)13-10-2)18-16-20(3)15-17-24(21(4)32(38)39-8)31(37)30(33)22(25)5/h15,17,21-22,25-27,30H,9-14,16,18-19H2,1-8H3/b20-15-,24-17-/t21-,22-,25-,26+,27+,30-,33+/m1/s1 |
| InChIKey | UVWRDRBYLQXPNW-CLWXDFGFSA-N |
| Literature Reference Author | R.J.MEGINLEY,P.GUPTA,T.C.SCHULZ,A.B.MCLEAN,A.J.ROBINS,L.M.WE ST |
| Literature Reference Citation | MAR.DRUGS,10,1662(2012) |
| Literature Reference DOI | 10.3390/md10081662 |
| Molecular Weight | 590.755 g/mol |
| Source File Reference | UWIR5891 |