| SpectraBase Compound ID | 8yRmgLWwMPV |
|---|---|
| InChI | InChI=1S/C33H50O10/c1-9-11-12-14-28(36)41-23-18-25(40-22(6)34)32(7)24(42-27(35)13-10-2)16-15-19(3)17-26-33(43-26,21(5)31(38)39-8)30(37)29(32)20(23)4/h17,20-21,23-26,29H,9-16,18H2,1-8H3/b19-17-/t20-,21+,23-,24+,25+,26-,29-,32+,33+/m1/s1 |
| InChIKey | PAQQHUZFBPGMKQ-SQJFRALLSA-N |
| Mol Weight | 606.8 g/mol |
| Molecular Formula | C33H50O10 |
| Exact Mass | 606.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VLn4refcvq |
|---|---|
| Name | BRIAREOLATEESTER-K |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O10 |
| InChI | InChI=1S/C33H50O10/c1-9-11-12-14-28(36)41-23-18-25(40-22(6)34)32(7)24(42-27(35)13-10-2)16-15-19(3)17-26-33(43-26,21(5)31(38)39-8)30(37)29(32)20(23)4/h17,20-21,23-26,29H,9-16,18H2,1-8H3/b19-17-/t20-,21+,23-,24+,25+,26-,29-,32+,33+/m1/s1 |
| InChIKey | PAQQHUZFBPGMKQ-SQJFRALLSA-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 | 606.754 g/mol |
| Source File Reference | UWIR5892 |