| SpectraBase Compound ID | 1zumvTUhPQb |
|---|---|
| InChI | InChI=1S/C22H29ClO8/c1-12-17(25)18(26)22(11-30-13(2)24)16(4-3-6-20(22,28)10-23)21(12)8-15(31-19(21)27)14-5-7-29-9-14/h5,7,9,12,15-17,19,25,27-28H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,19-,20+,21-,22+/m1/s1 |
| InChIKey | VNIGQWQAEIYFQT-BNWJHFICSA-N |
| Mol Weight | 456.92 g/mol |
| Molecular Formula | C22H29ClO8 |
| Exact Mass | 456.155096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFrgu0R81bK |
|---|---|
| Name | (12S,20S)-19-ACETOXY-18-CHLORO-15,16-EPOXY-4-ALPHA,7-ALPHA-DIHYDROXY-6-OXONEOClERODA-13-(16),14-DIENE-20,12-HEMIACETAL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H29ClO8 |
| InChI | InChI=1S/C22H29ClO8/c1-12-17(25)18(26)22(11-30-13(2)24)16(4-3-6-20(22,28)10-23)21(12)8-15(31-19(21)27)14-5-7-29-9-14/h5,7,9,12,15-17,19,25,27-28H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,19-,20+,21-,22+/m1/s1 |
| InChIKey | VNIGQWQAEIYFQT-BNWJHFICSA-N |
| Literature Reference Author | E.MOESSNER,M.C.DELATORRE,B.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,59,367(1996) |
| Literature Reference DOI | 10.1021/np9602170 |
| Molecular Weight | 456.920 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2403 |