기본 정보
- CAS
140835-18-3- 표준 SMILES
[3H][C@H]1C[C@@H]2[C@@H](C[C@]1([3H])CO)c1c(O)cc(C(C)(C)CCCCCC)cc1OC2(C)C- InChIKey
MVEVPDCVOXJVBD-FASICABJSA-N- 분자식
- C25H40O3
- 평균 분자량
- 392.6 g/mol
- 단동위원소 질량
- 392.31419363
개요
RN refers to tritium-labeled compound
이름 및 식별자
- 우선 이름
- 6H-Dibenzo(b,d)pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-, (6aR-(6aalpha,8beta,9alpha,10abeta))-
- IUPAC
- (6aR,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
- 현지명
- 243년HU
- 영어명
- HU 243
- 분자식
- C25H40O3
- 분자량
- 392.6
이름 및 동의어
140835-18-3(3H)HU 243HU2436H-Dibenzo[b,d]pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-, [6aR-(6aalpha,8beta,9alpha,10abeta)]-6H-Dibenzo(b,d)pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-, (6aR-(6aalpha,8beta,9alpha,10abeta))-RefChem:3096263-Dimethylheptyl-11-hydroxyhexahydrocannabinol[6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-8-t-9-methanol6H-Dibenzo(b,d)pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-diemthyl-, (6aR-(6aalpha,8beta,9alpha,10abeta))-(6Ar,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol7GG4K7H7ZLSCHEMBL25432738
이름 더 보기
243년HUHU 2436H-Dibenzo[b,d]pyran-8-t-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-,[6aR-(6aa,8b,9a,10ab)]- (9CI)
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
물리화학적 성질
- 끓는 점
- 472.158 · 472.158±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.012 · 1.012±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.822 · 9.822±0.60(predicted)
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