| SpectraBase Compound ID | Dbk0YxdKVpW |
|---|---|
| InChI | InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28+,29-,30-/m0/s1 |
| InChIKey | RPXRCEJKIKHRBO-JRFMIZDWSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C30H44O4 |
| Exact Mass | 468.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cAzZjyIvUW |
|---|---|
| Name | ANHYDROBELACHINOL;ANOMER-#2 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O4 |
| InChI | InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28+,29-,30-/m0/s1 |
| InChIKey | RPXRCEJKIKHRBO-JRFMIZDWSA-N |
| Literature Reference Author | H.ITO,S.ONOUE,Y.MIYAKE,T.YOSHIDA |
| Literature Reference Citation | J.NAT.PROD.,62,89(1999) |
| Literature Reference DOI | 10.1021/np980271b |
| Molecular Weight | 468.677 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19858 |