![COMNOSTIN-B;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-FORMYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE](/api/spectrum/5dYGzMo4y5C/structure.png?h=300&w=458 "COMNOSTIN-B;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-FORMYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE")
| SpectraBase Compound ID | KGZfqA4DoUC |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21?,22?,24+,25+,26-,27-/m1/s1 |
| InChIKey | JBBYKAGPJLHVPI-YIZMITPNSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H38O4 |
| Exact Mass | 426.27701 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 | 5dYGzMo4y5C |
|---|---|
| Name | COMNOSTIN-B;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-FORMYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21?,22?,24+,25+,26-,27-/m1/s1 |
| InChIKey | JBBYKAGPJLHVPI-YIZMITPNSA-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 | 426.596 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRU1808 |