| SpectraBase Compound ID | lH0EMg4U5J |
|---|---|
| InChI | InChI=1S/C29H42O7/c1-4-5-6-7-10-14-19-29(36-23(2)30)21-24(22-35-27-18-13-15-20-34-27)28(32)25(29)16-11-8-9-12-17-26(31)33-3/h8,10-11,14,16,21,27H,4-7,9,12-13,15,17-20,22H2,1-3H3/b11-8+,14-10-,25-16+/t27?,29-/m1/s1 |
| InChIKey | DKRGCCZKRHOJLJ-UOHXJPNISA-N |
| Mol Weight | 502.6 g/mol |
| Molecular Formula | C29H42O7 |
| Exact Mass | 502.293054 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KDDpCypmihV |
|---|---|
| Name | (12R)-5E,7Z-12-hydroxy-10-(tetrahydropyran-2'-yl-oxymethyl)-4-deacetylclavulone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O7 |
| InChI | InChI=1S/C29H42O7/c1-4-5-6-7-10-14-19-29(36-23(2)30)21-24(22-35-27-18-13-15-20-34-27)28(32)25(29)16-11-8-9-12-17-26(31)33-3/h8,10-11,14,16,21,27H,4-7,9,12-13,15,17-20,22H2,1-3H3/b11-8+,14-10-,25-16+/t27?,29-/m1/s1 |
| InChIKey | DKRGCCZKRHOJLJ-UOHXJPNISA-N |
| Molecular Weight | 502.648 g/mol |
| SMILES | [C@@]1(\C(C(C(=C1)COC1OCCCC1)=O)=C\C=C\CCCC(=O)OC)(OC(=O)C)C\C=C/CCCCC |
| SPLASH | splash10-000i-9002000000-221163b837efc3e01b89 |
| Source of Spectrum | F-51-5867-47 |
| Wiley ID | 792075 |