11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid
基本情報
- CAS
2083624-89-7- 標準SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21- InChIKey
YOVRGSHRZRJTLZ-UHFFFAOYSA-N- 分子式
- C21H28O4
- 平均分子量
- 344.4 g/mol
- 単同位体質量
- 344.19875937
概要
Nor-9-carboxy-delta9-THC is a 1-benzopyran.
名称と識別子
- 優先名称
- 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid
- IUPAC
- 1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
- 英語名
- DL-11-Nor-9-carboxy-delta-9-thc
- 分子式
- C21H28O4
- 分子量
- 344.44
名称と別名
64280-14-411-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acidRefChem:7796211-Nor-9-carboxy-thcThc-11-oic aciddelta-9-11-Carboxytetrahydrocannabinoltetrahydrocannabinol-7-oic aciddelta(1)-Tetrahydrocannabinol-7-oic aciddelta(9)-Tetrahydrocannabinol-11-oic-acid1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acidHexadeutero-11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid(6aR-trans)-isomer of 11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid
名称をさらに表示
DL-11-Nor-9-carboxy-delta-9-thcNOR-9-CARBOXY-DELTA 9 THC, (+,-)-11-6H-Dibenzo(B,D)pyran-9-carboxylic acid, 6A,7,8,10A-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-
1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-9-carboxylic acid1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-9-carboxylic acid(?)-11-nor-9-carboxy-?9-THC (CRM)(+/-)-11-nor-delta-9-THCcarboxylic acid-D9Nor-9-carboxy-delta9-THC1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid(+/-)-11-nor-delta-9-THCcarboxylic acid-D9, 1mg/ml in MethanolSCHEMBL3954439
データベース識別子
- CAS
2083624-89-7、64280-14-4- PubChem CID
- 107885
- DTXSID
DTXSID8074788- ChEBI
CHEBI:167808- Nikkaji
- J360.962F
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 524
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section193.85 Ų [M+H]+
物理化学的性質
- EPAの化学物質情報
- 6 H-Dibenzo[b,d]pyran-9-carboxylic · 6H-Dibenzo[b,d]pyran-9-carboxylic acid,6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl- (64280-14-4)
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