| SpectraBase Compound ID | KGkCj5SlSA |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-17-7-6-8-23-26(17,4)13-11-18(2)27(23,5)14-12-20-9-10-22(30-16-20)21-15-24(29)32-25(21)31-19(3)28/h7,9,15,18,22-23,25H,6,8,10-14,16H2,1-5H3/t18-,22+,23-,25+,26-,27-/m0/s1 |
| InChIKey | ZSUGHKKTXITLOY-JZTWUFNJSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9mvHNtOd8 |
|---|---|
| Name | CACOSPONGIOLIDE_E-ACETATE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-17-7-6-8-23-26(17,4)13-11-18(2)27(23,5)14-12-20-9-10-22(30-16-20)21-15-24(29)32-25(21)31-19(3)28/h7,9,15,18,22-23,25H,6,8,10-14,16H2,1-5H3/t18-,22+,23-,25+,26-,27-/m0/s1 |
| InChIKey | ZSUGHKKTXITLOY-JZTWUFNJSA-N |
| Literature Reference Author | S.DEROSA,A.CRISPINO,A.DEGULIO,C.IODICE,R.BENREZZOUK,M.C.TERE NCIO,M.L.FERRANDIZ,M |
| Literature Reference Citation | J.NAT.PROD.,61,931(1998) |
| Literature Reference DOI | 10.1021/np980122t |
| Molecular Weight | 442.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ547 |