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Trimethylsilyl derivative of Hexahydrocannabinol-7-oic acid (equitorial isomer)
SpectraBase Compound ID FXPdUkJ38BE
InChI InChI=1S/C27H46O4Si2/c1-10-11-12-14-19-17-22-24(23(18-19)30-32(4,5)6)20-15-13-16-21(25(20)27(2,3)29-22)26(28)31-33(7,8)9/h17-18,20-21,25H,10-16H2,1-9H3/t20-,21?,25-/m0/s1
InChIKey PIEMCSYDCIBPAA-HAYYQKKZSA-N
Mol Weight 490.8 g/mol
Molecular Formula C27H46O4Si2
Exact Mass 490.293463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F6qyCG56xX
Name Trimethylsilyl derivative of Hexahydrocannabinol-7-oic acid (equitorial isomer)
Alternate Name(s) Trimethylsilyl derivative of Hexahydrocannabinol-7-oic acid (axial isomer) Trimethylsilyl (6aS,10aR)-6,6-dimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-7-carboxylate
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Formula C27H46O4Si2
InChI InChI=1S/C27H46O4Si2/c1-10-11-12-14-19-17-22-24(23(18-19)30-32(4,5)6)20-15-13-16-21(25(20)27(2,3)29-22)26(28)31-33(7,8)9/h17-18,20-21,25H,10-16H2,1-9H3/t20-,21?,25-/m0/s1
InChIKey PIEMCSYDCIBPAA-HAYYQKKZSA-N
Molecular Weight 490.831 g/mol
SMILES c12[C@]3([C@](C(C(O[Si](C)(C)C)=O)CCC3)([H])C(Oc1cc(cc2O[Si](C)(C)C)CCCCC)(C)C)[H]
SPLASH splash10-0006-0011900000-5a36400eda1ecfa1fd60
Source of Spectrum KO-7-31-1
Wiley ID 1397251