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1-(Allyloxy)-12.beta.-(hydroxymethyl)-9-nor-9.beta.-hydroxyhexahydrocannabinol
SpectraBase Compound ID 10oijMIW1eL
InChI InChI=1S/C28H44O4/c1-6-8-9-10-13-27(3,4)20-17-24(31-16-7-2)26-22-19-21(30)11-12-23(22)28(5,14-15-29)32-25(26)18-20/h7,17-18,21-23,29-30H,2,6,8-16,19H2,1,3-5H3/t21-,22-,23-,28+/m1/s1
InChIKey RTGZXFHMGOVFRV-IZXSZHORSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12dmiI3GBE
Name 1-(Allyloxy)-12.beta.-(hydroxymethyl)-9-nor-9.beta.-hydroxyhexahydrocannabinol
Alternate Name(s) (6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-6-methyl-3-(2-methyloctan-2-yl)-1-prop-2-enoxy-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-9-ol (6S,6aR,9R,10aR)-6-(2-hydroxyethyl)-6-methyl-3-(2-methyloctan-2-yl)-1-prop-2-enoxy-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-ol
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Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-6-8-9-10-13-27(3,4)20-17-24(31-16-7-2)26-22-19-21(30)11-12-23(22)28(5,14-15-29)32-25(26)18-20/h7,17-18,21-23,29-30H,2,6,8-16,19H2,1,3-5H3/t21-,22-,23-,28+/m1/s1
InChIKey RTGZXFHMGOVFRV-IZXSZHORSA-N
Molecular Weight 444.656 g/mol
SMILES O[C@@]1(CC[C@@]2([C@](c3c(O[C@]2(CCO)C)cc(cc3OCC=C)C(CCCCCC)(C)C)(C1)[H])[H])[H]
SPLASH splash10-03dl-0136900000-cb670cd9064de178ae53
Source of Spectrum F2-41-3606-32
Wiley ID 1599839