| SpectraBase Compound ID | 4pXpUqwwozS |
|---|---|
| InChI | InChI=1S/C28H38O12/c1-12(2)13(3)8-17(30)40-20-22-27-11-38-28(22,25(35)37-7)23(33)19(32)21(27)26(5,10-18(31)36-6)15(14(4)29)9-16(27)39-24(20)34/h8,12,15-16,19-23,32-33H,9-11H2,1-7H3/b13-8+/t15-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| InChIKey | YGHOWFTZPVOCHA-OACHQGFMSA-N |
| Mol Weight | 566.6 g/mol |
| Molecular Formula | C28H38O12 |
| Exact Mass | 566.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56idWk5x1cH |
|---|---|
| Name | BrUCEANIC-A-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O12 |
| InChI | InChI=1S/C28H38O12/c1-12(2)13(3)8-17(30)40-20-22-27-11-38-28(22,25(35)37-7)23(33)19(32)21(27)26(5,10-18(31)36-6)15(14(4)29)9-16(27)39-24(20)34/h8,12,15-16,19-23,32-33H,9-11H2,1-7H3/b13-8+/t15-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| InChIKey | YGHOWFTZPVOCHA-OACHQGFMSA-N |
| Literature Reference Author | T.TOYOTA,N.FUKAMIYA,M.OKANO,K.TAGAHARA,J.J.CHANG,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,53,1526(1990) |
| Literature Reference DOI | 10.1021/np50072a020 |
| Molecular Weight | 566.603 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE2014 |