| SpectraBase Compound ID | BR35fDLZAhl |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-15-12-18(24)19-20(3,14-27-16(2)23)8-5-9-21(19,4)22(15,25)10-6-17-7-11-26-13-17/h7,11,13,15,18-19,24-25H,5-6,8-10,12,14H2,1-4H3 |
| InChIKey | JNMSCCGICJNSSU-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4ucvnsQkMoD |
|---|---|
| Name | Marrubenol 19-acetate |
| CAS Registry Number | 3042-28-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-15-12-18(24)19-20(3,14-27-16(2)23)8-5-9-21(19,4)22(15,25)10-6-17-7-11-26-13-17/h7,11,13,15,18-19,24-25H,5-6,8-10,12,14H2,1-4H3 |
| InChIKey | JNMSCCGICJNSSU-UHFFFAOYSA-N |
| Literature Reference | G. Savona, F. Piozzi, J. Chem. Soc. Perkin I 497 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |