| SpectraBase Compound ID | BU1tRawiS8a |
|---|---|
| InChI | InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20-,22+,23-,24+/m0/s1 |
| InChIKey | SEDZEPIOCMRXBS-IDEDKRAQSA-N |
| Mol Weight | 498.96 g/mol |
| Molecular Formula | C24H31ClO9 |
| Exact Mass | 498.16566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyHfsCVtRnM |
|---|---|
| Name | (12S)-7-ALPHA,19-DIACETOXY-18-CHLORO-15,16-EPOXY-4-ALPHA,6-ALPHA-DIHYDROXY-NEOClERODA-13-(16),14-DIEN-20,12-OLIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H31ClO9 |
| InChI | InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20-,22+,23-,24+/m0/s1 |
| InChIKey | SEDZEPIOCMRXBS-IDEDKRAQSA-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 | 498.958 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2409 |