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(4b.alpha.,10b.beta.,11.beta.)-2,8-dimethoxy-4b-methyl-4b,5,6,10a,11,12-hexahydrochrysen-11-ol
SpectraBase Compound ID RqhFcBd9eR
InChI InChI=1S/C21H24O3/c1-21-9-8-13-10-15(23-2)4-6-17(13)20(21)19(22)12-14-11-16(24-3)5-7-18(14)21/h4-7,10-11,19-20,22H,8-9,12H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey LYYVKYILUWIIFA-HKBOAZHASA-N
Mol Weight 324.42 g/mol
Molecular Formula C21H24O3
Exact Mass 324.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mzYbRe8p87
Name (4b.alpha.,10b.beta.,11.beta.)-2,8-dimethoxy-4b-methyl-4b,5,6,10a,11,12-hexahydrochrysen-11-ol
CAS Registry Number 71563-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O3
InChI InChI=1S/C21H24O3/c1-21-9-8-13-10-15(23-2)4-6-17(13)20(21)19(22)12-14-11-16(24-3)5-7-18(14)21/h4-7,10-11,19-20,22H,8-9,12H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey LYYVKYILUWIIFA-HKBOAZHASA-N
Molecular Weight 324.420 g/mol
SMILES O[C@]1([C@]2([C@](c3c(C1)cc(cc3)OC)(CCc1cc(OC)ccc21)C)[H])[H]
SPLASH splash10-0597-0559000000-079b9a52715e6acd6836
Source of Spectrum B-32-1118-0
Synonyms 5-Chrysenol, 4b,5,6,10b,11,12-hexahydro-2,8-dimethoxy-10b-methyl-, (4b.alpha.,5.alpha.,10b.beta.)- (4b.beta.,10b.beta.,11.beta.)-2,8-dimethoxy-4b-methyl-4b,5,6,10a,11,12-hexahydrochysen-11-ol (4bS,5R,10bR)-2,8-dimethoxy-10b-methyl-4b,5,6,10b,11,12-hexahydro-5-chrysenol
Wiley ID 1323594