| SpectraBase Compound ID | Fz2EKgbeGBO |
|---|---|
| InChI | InChI=1S/C29H38O14/c1-12(26(4,5)43-14(3)31)8-18(34)42-20-22-28-11-40-29(22,25(38)39-7)23(36)19(35)21(28)27(6,10-17(32)33)15(13(2)30)9-16(28)41-24(20)37/h8,15-16,19-23,35-36H,9-11H2,1-7H3,(H,32,33)/b12-8+/t15-,16+,19+,20+,21+,22+,23-,27-,28+,29-/m0/s1 |
| InChIKey | FWLHCRBFRPFMOW-HIFYBVIMSA-N |
| Mol Weight | 610.6 g/mol |
| Molecular Formula | C29H38O14 |
| Exact Mass | 610.226156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L72jWDx8IZx |
|---|---|
| Name | BrUCEANIC-ACID-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O14 |
| InChI | InChI=1S/C29H38O14/c1-12(26(4,5)43-14(3)31)8-18(34)42-20-22-28-11-40-29(22,25(38)39-7)23(36)19(35)21(28)27(6,10-17(32)33)15(13(2)30)9-16(28)41-24(20)37/h8,15-16,19-23,35-36H,9-11H2,1-7H3,(H,32,33)/b12-8+/t15-,16+,19+,20+,21+,22+,23-,27-,28+,29-/m0/s1 |
| InChIKey | FWLHCRBFRPFMOW-HIFYBVIMSA-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 | 610.612 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE2016 |