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1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
SpectraBase Compound ID EqW6uwkHZMx
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)
InChIKey UCONUSSAWGCZMV-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jmw0unuBXwd
Name THCA-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)
InChIKey UCONUSSAWGCZMV-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES OC(c1c(cc2c(c1O)C1C(C(O2)(C)C)CCC(=C1)C)CCCCC)=O
SPLASH splash10-01pp-3791000000-33e2ea256999b334e476
Source of Spectrum SWG-33-3604-0
Synonyms Delta-9-Tetrahydrocannabinolic Acid Delta-9-THC Carboxylic Acid 1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
Wiley ID 1810381