![COMNOSTIN-E;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-ACETYL-2,5,6,8A-TETRA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE](/api/spectrum/IkmhcIKxu4h/structure.png?h=300&w=458 "COMNOSTIN-E;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-ACETYL-2,5,6,8A-TETRA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE")
| SpectraBase Compound ID | 7INdZphN9cp |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-16-10-12-26(4)22-9-7-20(17(2)28)25(22,3)13-11-23(26)27(16,5)15-19-14-18(24(30)31)6-8-21(19)29/h6,8,14,16,20,22-23,29H,7,9-13,15H2,1-5H3,(H,30,31)/t16-,20+,22?,23?,25+,26-,27-/m1/s1 |
| InChIKey | PCLWWUDFTVTRTJ-ATCNUFKCSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H38O4 |
| Exact Mass | 426.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkmhcIKxu4h |
|---|---|
| Name | COMNOSTIN-E;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-ACETYL-2,5,6,8A-TETRA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-16-10-12-26(4)22-9-7-20(17(2)28)25(22,3)13-11-23(26)27(16,5)15-19-14-18(24(30)31)6-8-21(19)29/h6,8,14,16,20,22-23,29H,7,9-13,15H2,1-5H3,(H,30,31)/t16-,20+,22?,23?,25+,26-,27-/m1/s1 |
| InChIKey | PCLWWUDFTVTRTJ-ATCNUFKCSA-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 | CD3OD |
| Source File Reference | UWRU1811 |