![COMNOSTIN-D;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-DIHYDROXY-METHYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE](/api/spectrum/B2oyCAvRccw/structure.png?h=300&w=458 "COMNOSTIN-D;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-DIHYDROXY-METHYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE")
| SpectraBase Compound ID | ARN00gR270t |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22?,23?,26+,27-,28-,29+/m1/s1 |
| InChIKey | NGZCNRIYOUJSLA-SKPIEEQRSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C29H44O5 |
| Exact Mass | 472.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2oyCAvRccw |
|---|---|
| Name | COMNOSTIN-D;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-DIHYDROXY-METHYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22?,23?,26+,27-,28-,29+/m1/s1 |
| InChIKey | NGZCNRIYOUJSLA-SKPIEEQRSA-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 | 472.665 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1810 |