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1,3-Benzenediol, 2-[4-(acetyloxy)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pe ntyl-, diacetate, [1R-(1.alpha.,4.beta.,6.beta.)]-

View entire compound with spectra: 1 MS (GC)

1,3-Benzenediol, 2-[4-(acetyloxy)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pe ntyl-, diacetate, [1R-(1.alpha.,4.beta.,6.beta.)]-
SpectraBase Compound ID n1SnLU80DG
InChI InChI=1S/C27H36O6/c1-8-9-10-11-21-13-25(32-19(6)29)27(26(14-21)33-20(7)30)23-12-17(4)24(31-18(5)28)15-22(23)16(2)3/h12-14,22-24H,2,8-11,15H2,1,3-7H3/t22-,23+,24-/m0/s1
InChIKey XYUQFKWZJRRKCS-VXNXHJTFSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5W8RZXLMTSM
Name 1,3-Benzenediol, 2-[4-(acetyloxy)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pe ntyl-, diacetate, [1R-(1.alpha.,4.beta.,6.beta.)]-
Alternate Name(s) 3-(acetyloxy)-2-[(1R,4S,6R)-4-(acetyloxy)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentylphenyl acetate 6.alpha.-hydroxycannabidiol triacetate
CAS Registry Number 58940-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-8-9-10-11-21-13-25(32-19(6)29)27(26(14-21)33-20(7)30)23-12-17(4)24(31-18(5)28)15-22(23)16(2)3/h12-14,22-24H,2,8-11,15H2,1,3-7H3/t22-,23+,24-/m0/s1
InChIKey XYUQFKWZJRRKCS-VXNXHJTFSA-N
Molecular Weight 456.579 g/mol
SMILES [C@]1(c2c(OC(=O)C)cc(cc2OC(=O)C)CCCCC)(C=C(C)[C@](C[C@]1(C(=C)C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0w29-0019000000-637b24cfbca2f9698c14
Source of Spectrum KC-1976-14-0
Wiley ID 1389362