| SpectraBase Compound ID | K5yOU1Uo8ld |
|---|---|
| InChI | InChI=1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22?,24-,25-,26-,27-/m0/s1 |
| InChIKey | CFPMRJFTBKYCRR-MPQOWNRCSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C27H36O4 |
| Exact Mass | 424.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8anTo8yDWdt |
|---|---|
| Name | SCOPADULCIOL |
| CAS Registry Number | 130838-01-6 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O4 |
| InChI | InChI=1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22?,24-,25-,26-,27-/m0/s1 |
| InChIKey | CFPMRJFTBKYCRR-MPQOWNRCSA-N |
| Literature Reference Author | T.HAYASHI,S.ASANO,M.MIZUTANI,N.TAKEGUCHI,T.KOJIMA,K.OKAMURA, N.MORITA |
| Literature Reference Citation | J.NAT.PROD.,54,802(1991) |
| Literature Reference DOI | 10.1021/np50075a008 |
| Molecular Weight | 424.580 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4676 |