| SpectraBase Compound ID | 1UL1rYZ6wMV |
|---|---|
| InChI | InChI=1S/C29H44O6/c1-6-18-8-10-22-21-9-7-19-15-20(11-13-29(19,5)23(21)12-14-28(18,22)4)35-27-25(32)24(31)26(16(2)33-27)34-17(3)30/h6-7,16,18,20-27,31-32H,1,8-15H2,2-5H3/t16-,18-,20-,21-,22-,23-,24-,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | RQQREQMHAHHPKB-GXTYUSGYSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rmWKo7oWiV |
|---|---|
| Name | 3-BETA-O-(4'-O-ACETYL-ALPHA-L-FUCOPYRANOSYL)-PREGNA-5,20-DIENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/c1-6-18-8-10-22-21-9-7-19-15-20(11-13-29(19,5)23(21)12-14-28(18,22)4)35-27-25(32)24(31)26(16(2)33-27)34-17(3)30/h6-7,16,18,20-27,31-32H,1,8-15H2,2-5H3/t16-,18-,20-,21-,22-,23-,24-,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | RQQREQMHAHHPKB-GXTYUSGYSA-N |
| Literature Reference Author | O.M.COBAR,A.D.RODRIGUEZ,O.L.PADILLA |
| Literature Reference Citation | J.NAT.PROD.,60,1186(1997) |
| Literature Reference DOI | 10.1021/np970321x |
| Molecular Weight | 488.665 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS23212 |