| SpectraBase Compound ID | 2TpEQsIEaW5 |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | PZNPHSFXILSZTM-JUGSJECZSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CioxQ5wfXCf |
|---|---|
| Name | NEOCHLOROGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | PZNPHSFXILSZTM-JUGSJECZSA-N |
| Literature Reference Author | A.N.USUBILLAGA,G.MECCIA |
| Literature Reference Citation | J.NAT.PROD.,50,636(1987) |
| Literature Reference DOI | 10.1021/np50052a010 |
| Molecular Weight | 432.644 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17455 |