Chem
J-GLOBAL ID:200907046221346262
Nikkaji number:J14.354E
Cannabidiolic acid
カンナビジオール酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H30 O4
Molecular formula furigana:
C22-H30-O4
Molecular weight:
358.478
InChI:
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
InChI key:
WVOLTBSCXRRQFR-DLBZAZTESA-N
SMILES:
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1C(=O)O
Systematic name (5):
2,4-ジヒドロキシ-3-[(1R)-3-メチル-6β-(1-メチルエテニル)-2-シクロヘキセン-1α-イル]-6-ペンチル安息香酸
2,4-ジヒドロキシ-3-[(1R,6R)-3-メチル-6-(1-メチルエテニル)-2-シクロヘキセン-1-イル]-6-ペンチル安息香酸
2,4-ジヒドロキシ-3-[(1R,6R)-3-メチル-6-イソプロペニル-2-シクロヘキセニル]-6-ペンチル安息香酸
2,4-ジヒドロキシ-3-[(1R,6R)-3-メチル-6-(プロパ-1-エン-2-イル)シクロヘキサ-2-エン-1-イル]-6-ペンチル安息香酸
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid
Other name (4):
カンナビジオール酸
Cannabidiolic acid
2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentylbenzoic acid
2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-isopropenyl-2-cyclohexenyl]-6-pentylbenzoic acid
CAS registry number:
1244-58-2
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