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(3R,5'R)-Capsanthone

View entire compound with spectra: 1 MS (GC)

(3R,5'R)-Capsanthone
SpectraBase Compound ID 1YujWAeZdoH
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
InChIKey RSVFJNWBMXVMGE-LXQXRHSASA-N
Mol Weight 582.9 g/mol
Molecular Formula C40H54O3
Exact Mass 582.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nCfFy7dEq1
Name (3R,5'R)-Capsanthone
Alternate Name(s) (R)-3-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl)-3,4,4-trimethylcyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O3
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
InChIKey RSVFJNWBMXVMGE-LXQXRHSASA-N
Literature Reference DOI 10.1002/hlca.19830660706
Molecular Weight 582.869 g/mol
SMILES O[C@]1(CC(C(=C(C1)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(C)\C=C\C(=O)[C@@]1(CC(CC1(C)C)=O)C)C)C)C)(C)C)[H]
SPLASH splash10-001i-9700140000-33494442c0300a9d44b1
Source of Spectrum H-66-1957-5
Wiley ID 1797628