| SpectraBase Compound ID | ErLmOyZX7Mp |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1 |
| InChIKey | BULFLYNTUQDTCY-MMCREVDLSA-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 | 3LCngyMbzUe |
|---|---|
| Name | CLADOCORAN-A-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1 |
| InChIKey | BULFLYNTUQDTCY-MMCREVDLSA-N |
| Literature Reference Author | A.FONTANA,M.L.CIAVATTA,G.CIMINO |
| Literature Reference Citation | J.ORG.CHEM.,63,2845(1998) |
| Literature Reference DOI | 10.1021/jo971586j |
| Molecular Weight | 472.665 g/mol |
| Sample ID | 37073 |
| Solvent | CDCl3 |