| SpectraBase Compound ID | 8cF0R5mC0et |
|---|---|
| InChI | InChI=1S/C34H54O8/c1-8-11-12-13-14-15-16-17-28(37)41-29-23(5)33(7,19-18-22(4)9-2)27-21-25(36)20-26-31(39-10-3)42-32(40-24(6)35)34(26,27)30(29)38/h9,18,20,23,25,27,29-32,36,38H,2,8,10-17,19,21H2,1,3-7H3/b22-18-/t23-,25+,27+,29+,30+,31+,32-,33-,34-/m1/s1 |
| InChIKey | GKLSGDUPRKXVGF-ZALRELAJSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C34H54O8 |
| Exact Mass | 590.381869 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ImoJAPROky |
|---|---|
| Name | Casearins E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H54O8 |
| InChI | InChI=1S/C34H54O8/c1-8-11-12-13-14-15-16-17-28(37)41-29-23(5)33(7,19-18-22(4)9-2)27-21-25(36)20-26-31(39-10-3)42-32(40-24(6)35)34(26,27)30(29)38/h9,18,20,23,25,27,29-32,36,38H,2,8,10-17,19,21H2,1,3-7H3/b22-18-/t23-,25+,27+,29+,30+,31+,32-,33-,34-/m1/s1 |
| InChIKey | GKLSGDUPRKXVGF-ZALRELAJSA-N |
| Molecular Weight | 590.798 g/mol |
| SMILES | O[C@@]1([C@@]23[C@@](C[C@](C=C3[C@@](OCC)(O[C@]2(OC(=O)C)[H])[H])(O)[H])([C@@]([C@@]([C@@]1(OC(=O)CCCCCCCCC)[H])(C)[H])(C\C=C/(C=C)C)C)[H])[H] |
| SPLASH | splash10-053r-9883010000-8818fde8e27abde718af |
| Source of Spectrum | E1-38-3387-0 |
| Wiley ID | 1518561 |