11-히드록시-3-(1',1'-디메틸헵틸)헥사히드로칸나비놀
HU-243
기본 정보
- CAS
140835-14-9- 표준 SMILES
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21- InChIKey
MVEVPDCVOXJVBD-MISYRCLQSA-N- 분자식
- C25H40O3
- 평균 분자량
- 388.6 g/mol
- 단동위원소 질량
- 388.29774513
개요
RN refers to (6AR-(6AA,9A,10AB))-stereoisomer; structure given in first source
이름 및 식별자
- 우선 이름
- HU-243
- IUPAC
- (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
- 현지명
- 11-히드록시-3-(1',1'-디메틸헵틸)헥사히드로칸나비놀
- 영어명
- 11-hydroxy-3-(1',1'-dimethylheptyl)hexahydrocannabinol
- 분자식
- C25H40O3
- 분자량
- 388.58
이름 및 동의어
HDHHC140835-14-9SKGOA1RZCTHU 243HU-24311-Hydroxy-3-(1',1'-dimethylheptyl)hexahydrocannabinolUNII-SKGOA1RZCTDTXSID30161476AM 4056AM-40566H-Dibenzo(b,d)pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR-(6aalpha,9alpha,10abeta))-RefChem:53367
이름 더 보기
11-히드록시-3-(1',1'-디메틸헵틸)헥사히드로칸나비놀(6aR,9R,10aR)-3-(1,1-DiMethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-Methanol6H-Dibenzo[b,d]pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,9R,10aR)-[6aR-(6aα,9α,10aβ)]-3-(1,1-DiMethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-Methanol
DTXCID0083967CHEMBL85071SCHEMBL4938816BDBM50066712(6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol(6AR,9R,10AR)-3-(1,1-DIMETHYLHEPTYL)-6A,7,8,9,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-6H-DIBENZO(B,D)PYRAN-9-METHANOL(6aR,9R,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-1-ol6H-DIBENZO(B,D)PYRAN-9-METHANOL, 3-(1,1-DIMETHYLHEPTYL)-6A,7,8,9,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-, (6AR,9R,10AR)-
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 500
화학 및 산업
응용 분야
용도A synthetic cannabinoid derivative that acts as a potent agonist at both the CB1 and CB2 receptors. Controlled Substance.
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