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(6'S)-Capsorubol-6-one
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)

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