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[6aR-(6aa,7b,10ab)]-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,2,3,4-tetraphenyl-5,6,6a,7,8,9,10,10a-octahydrochrysene
SpectraBase Compound ID JFIDwKcdPPe
InChI InChI=1S/C47H46O2/c1-46(31-48-3)28-17-29-47(2)37-30-38(49-4)45-43(35-24-15-8-16-25-35)41(33-20-11-6-12-21-33)40(32-18-9-5-10-19-32)42(34-22-13-7-14-23-34)44(45)36(37)26-27-39(46)47/h5-16,18-25,30,39H,17,26-29,31H2,1-4H3/t39-,46-,47+/m0/s1
InChIKey GLLOMZKMMDDOMU-YAEAFNLMSA-N
Mol Weight 642.9 g/mol
Molecular Formula C47H46O2
Exact Mass 642.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh93QsdlAbn
Name [6aR-(6aa,7b,10ab)]-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,2,3,4-tetraphenyl-5,6,6a,7,8,9,10,10a-octahydrochrysene
Alternate Name(s) (1R,4aS,12aR)-6-methoxy-1-(methoxymethyl)-1,4a-dimethyl-7,8,9,10-tetraphenyl-1,2,3,4,4a,11,12,12a-octahydrochrysene
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Formula C47H46O2
InChI InChI=1S/C47H46O2/c1-46(31-48-3)28-17-29-47(2)37-30-38(49-4)45-43(35-24-15-8-16-25-35)41(33-20-11-6-12-21-33)40(32-18-9-5-10-19-32)42(34-22-13-7-14-23-34)44(45)36(37)26-27-39(46)47/h5-16,18-25,30,39H,17,26-29,31H2,1-4H3/t39-,46-,47+/m0/s1
InChIKey GLLOMZKMMDDOMU-YAEAFNLMSA-N
Molecular Weight 642.883 g/mol
SMILES c12c(c3c(c(-c4ccccc4)c(c(c3c(c1)OC)-c1ccccc1)-c1ccccc1)-c1ccccc1)CC[C@@]1([C@@]2(CCC[C@]1(COC)C)C)[H]
SPLASH splash10-0006-0202009000-06b9edb7f20d21b57b2a
Source of Spectrum B-47-1815-0
Wiley ID 1412775