| SpectraBase Compound ID | KuopmPcylga |
|---|---|
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-35,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,39-,40-/m0/s1 |
| InChIKey | HTPXXFAJURUGAN-BMXPPKFBSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C40H58O4 |
| Exact Mass | 602.43351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9HVdTYoHtDU |
|---|---|
| Name | (6'S)-Capsorubol-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H58O4 |
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-35,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,39-,40-/m0/s1 |
| InChIKey | HTPXXFAJURUGAN-BMXPPKFBSA-N |
| Molecular Weight | 602.900 g/mol |
| SMILES | O[C@]1(CC([C@](C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]([C@]2(C(C[C@@](C2)(O)[H])(C)C)C)(O)[H])C)C)C)C)=O)(C1)C)(C)C)[H] |
| SPLASH | splash10-0006-9200000000-37bdc6febc4d4b7d9a3d |
| Source of Spectrum | H-84-3816-8 |
| Synonyms | (6' S)-3,3',6'-Trihydroxy- .kappa.,.kappa.-caroten-6-one |
| Wiley ID | 847752 |