| SpectraBase Compound ID | L5NUmLCHxmJ |
|---|---|
| InChI | InChI=1S/C33H53NO7/c1-10-11-12-21(4)31(41-33(34)39)26(9)30(37)24(7)16-19(2)15-23(6)29(36)20(3)13-14-27(35)18-28-22(5)17-25(8)32(38)40-28/h10-15,17,20-24,26-31,35-37H,1,16,18H2,2-9H3,(H2,34,39)/b12-11+,14-13+,19-15+/t20-,21+,22+,23+,24+,26+,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | DNXRMFQLJNCCHQ-AKAROGBSSA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C33H53NO7 |
| Exact Mass | 575.382203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtF0iMOs1wB |
|---|---|
| Name | 3-DEOXY-DISCODERMOLID-2-ENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H53NO7 |
| InChI | InChI=1S/C33H53NO7/c1-10-11-12-21(4)31(41-33(34)39)26(9)30(37)24(7)16-19(2)15-23(6)29(36)20(3)13-14-27(35)18-28-22(5)17-25(8)32(38)40-28/h10-15,17,20-24,26-31,35-37H,1,16,18H2,2-9H3,(H2,34,39)/b12-11+,14-13+,19-15+/t20-,21+,22+,23+,24+,26+,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | DNXRMFQLJNCCHQ-AKAROGBSSA-N |
| Literature Reference Author | S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER |
| Literature Reference Citation | J.NAT.PROD.,65,1830(2002) |
| Literature Reference DOI | 10.1021/np0203234 |
| Molecular Weight | 575.786 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWSI16459 |