6H-Dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6ar-trans)-
기본 정보
- CAS
179044-94-1- 표준 SMILES
CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1- InChIKey
JECXXFXYJAQVAH-WOJBJXKFSA-N- 분자식
- C25H36O2S2
- 평균 분자량
- 432.7 g/mol
- 단동위원소 질량
- 432.21567273
이름 및 식별자
- 우선 이름
- 6H-Dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6ar-trans)-
- IUPAC
- (6aR,10aR)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
이름 및 동의어
AMG-3UNII-U90K6D923K179044-94-1CHEMBL476325U90K6D923K6H-Dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6ar-trans)-6H-Dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)-(6aR,10aR)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-olAMG 3SCHEMBL8312092JECXXFXYJAQVAH-WOJBJXKFSA-NDTXSID701019037
이름 더 보기
BDBM50063885(-)-2-(6a,7,10,10a-Tetrahydro-6,6,9-trimethyl-1-hydroxy-6H-dibenzo(b,d)pyranyl)-2-hexyl-1,3-dithiolane(6aR,10aR)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-olQ4652627(-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6H-dibenzo[2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6H-pyranyl)-2-hexyl-1,3-dithiolane(-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethylhydroxy-6h-dibenzo[b,d]pyranyl)-2-hexyl-1,3-dithiolane(6aR,10aR)-3-(2-Hexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
데이터베이스 식별자
- CAS
179044-94-1- PubChem CID
- 10002952
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 80.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 596
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