| SpectraBase Compound ID | BV3z1PciFCv |
|---|---|
| InChI | InChI=1S/C27H36O11/c1-5-6-7-8-16(29)38-18-20-26-11-36-27(20,24(34)35-4)22(32)17(30)19(26)25(3)13(10-15(26)37-23(18)33)12(2)9-14(28)21(25)31/h9,13,15,17-22,30-32H,5-8,10-11H2,1-4H3/t13-,15+,17+,18+,19+,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | NZDAVMOPAYYVCK-NYBJRCFSSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C27H36O11 |
| Exact Mass | 536.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93GY6c7Czw4 |
|---|---|
| Name | BRUCEANOL-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O11 |
| InChI | InChI=1S/C27H36O11/c1-5-6-7-8-16(29)38-18-20-26-11-36-27(20,24(34)35-4)22(32)17(30)19(26)25(3)13(10-15(26)37-23(18)33)12(2)9-14(28)21(25)31/h9,13,15,17-22,30-32H,5-8,10-11H2,1-4H3/t13-,15+,17+,18+,19+,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | NZDAVMOPAYYVCK-NYBJRCFSSA-N |
| Literature Reference Author | M.OKANO,N.FUKAMIYA,T.ARATANI,M.JUICHI,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,48,972(1985) |
| Literature Reference DOI | 10.1021/np50042a017 |
| Molecular Weight | 536.576 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3566 |