![COMNOSTIN-C;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-CARBOXY-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE](/api/spectrum/Jzwn0IGo7ke/structure.png?h=300&w=458 "COMNOSTIN-C;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-CARBOXY-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE")
| SpectraBase Compound ID | 7rpYQrnNZ8o |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20?,21?,24+,25-,26-,27+/m1/s1 |
| InChIKey | VEXFNNZBZUDQNY-DALJTSPUSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 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 | Jzwn0IGo7ke |
|---|---|
| Name | COMNOSTIN-C;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-CARBOXY-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20?,21?,24+,25-,26-,27+/m1/s1 |
| InChIKey | VEXFNNZBZUDQNY-DALJTSPUSA-N |
| Literature Reference Author | B.JAKI,J.ORJALA,J.HEILMANN,A.LINDEN,B.VOGLER,O.STICHER |
| Literature Reference Citation | J.NAT.PROD.,63,339(2000) |
| Literature Reference DOI | 10.1021/np9903090 |
| Molecular Weight | 442.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1809 |