기본 정보
- CAS
26108-40-7- 표준 SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21- InChIKey
YCBKSSAWEUDACY-UHFFFAOYSA-N- 분자식
- C21H30O3
- 평균 분자량
- 330.5 g/mol
- 단동위원소 질량
- 330.21949481
개요
metabolite of marijuana; structure; RN given refers to cpd without isomeric designation
이름 및 식별자
- 우선 이름
- 11-hydroxy-Delta(9)-tetrahydrocannabinol
- IUPAC
- 9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
- 영어명
- (+/-)-11-HYDROXY-DELTA9-THC-d3
- 분자식
- C21H30O3
- 분자량
- 330.46
이름 및 동의어
11-Hydroxy-delta(9)-thc26108-40-711-Hydroxy-delta(9)-tetrahydrocannabinol7-Hydroxy-delta(1)-tetrahydrocannabinol6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanolCHEBI:77270DTXSID20948995RefChem:907986DTXCID00219736NIOSH/HP6900000HP6900000011-Hydroxy-delta(sup 9)-tetrahydrocannabinol
이름 더 보기
(+/-)-11-HYDROXY-DELTA9-THCRACEMIC DRONABINOL METABOLITE(+/-)-11-HYDROXY-DELTA9-THC-D3HYDROXY-DELTA 9 THC, (+/-)-11-(+/-)-11-HYDROXY-DELTA9-TETRAHYDROCANNABINOL6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-methanol6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-
9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol6,6-Dimethyl-1-hydroxy-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-9-methanol6H-Dibenzo(b,d)pyran-9-methanol, 6a,7,8,10a-tetrahydro-6,6-dimethyl-1-hydroxy-3-pentyl-11-Hydroxy-THC(?)-11-hydroxy-?9-THC(-)-11-?9-Tetrahydro Cannabinol-9-methanolEpitope ID:22455811-Hydroxy-delta-9-THC
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 456
물리화학적 성질
- 끓는 점
- 437.1 · 437.1±45.0 °C(Predicted)
- 밀도
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.78 · 9.78±0.60(Predicted)
화학 및 산업
약리 정보
Tissue LocationsKidney
Cellular LocationsCytoplasm
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