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3-Pentanone, 1-(6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl)-, (6aR-trans)-
SpectraBase Compound ID 4UMuiVYpgFt
InChI InChI=1S/C21H28O3/c1-5-15(22)8-7-14-11-18(23)20-16-10-13(2)6-9-17(16)21(3,4)24-19(20)12-14/h10-12,16-17,23H,5-9H2,1-4H3/t16-,17-/m1/s1
InChIKey RAIFOXASCJJAPP-IAGOWNOFSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2D5nFirTEm
Name 3-Pentanone, 1-(6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl)-, (6aR-trans)-
Alternate Name(s) 6H-Dibenzo[b,d]pyran, 3-pentanone deriv. (+)-3'-Oxo-.delta.9-6a,10a-trans-tetrahydrocannabinol 1-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-3-pentanone
CAS Registry Number 68059-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-5-15(22)8-7-14-11-18(23)20-16-10-13(2)6-9-17(16)21(3,4)24-19(20)12-14/h10-12,16-17,23H,5-9H2,1-4H3/t16-,17-/m1/s1
InChIKey RAIFOXASCJJAPP-IAGOWNOFSA-N
Molecular Weight 328.452 g/mol
SMILES Oc1c2[C@]3([C@](CCC(=C3)C)([H])C(Oc2cc(c1)CCC(=O)CC)(C)C)[H]
SPLASH splash10-0201-0096000000-334b036d4af2e6e95a42
Source of Spectrum B-31-1806-0
Wiley ID 1326668