基本情報
- CAS
156848-68-9- 標準SMILES
C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O- InChIKey
SIFBYOROOILJHS-DQUWJENYSA-N- 分子式
- C24H32O4
- 平均分子量
- 384.5 g/mol
- 単同位体質量
- 384.2300595
概要
Peyssonol B has been reported in Peyssonnelia with data available.
名称と識別子
- 優先名称
- Peyssonol B
- IUPAC
- methyl 2-[4-[[(8aR)-5,6,8a-trimethyl-2-methylidene-1,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxyphenyl]acetate
名称と別名
Peyssonol B156848-68-9methyl 2-[4-[[(8aR)-5,6,8a-trimethyl-2-methylidene-1,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxyphenyl]acetatemethyl 2-(4-(((8aR)-5,6,8a-trimethyl-2-methylidene-1,3,4,6,7,8-hexahydronaphthalen-1-yl)methyl)-2,5-dihydroxyphenyl)acetateRefChem:172206methyl 2-(4-((5,6,8a-trimethyl-2-methylidene-1,3,4,6,7,8-hexahydronaphthalen-1-yl)methyl)-2,5-dihydroxyphenyl)acetateDTXSID209355422,5-Dihydroxy-4-((1,2,3,4,6,7,8,8a-octahydro-5,6,8a-trimethyl-2-methylene-1-naphthylenyl)methyl)benzene acetic acid, methyl ester2,5-Dihydroxy-4-[(1,2,3,4,6,7,8,8a-octahydro-5,6,8a-trimethyl-2-methylene-1- naphthylenyl)methyl]benzene acetic acid, methyl esterMethyl (2,5-dihydroxy-4-{[(8aR)-5,6,8a-trimethyl-2-methylidene-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]methyl}phenyl)acetateMethyl {2,5-dihydroxy-4-[(5,6,8a-trimethyl-2-methylidene-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)methyl]phenyl}acetatemethyl 2-[4-[[(8aR)-5,6,8a-trimethyl-2-methylene-1,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxy-phenyl]acetate
データベース識別子
- CAS
156848-68-9- PubChem CID
- 460368
- DTXSID
DTXSID20935542
物性
構造計算による物性
- XLogP
- 4.4
- 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
- 28
- 形式電荷
- 0
- 複雑度
- 651
関連反応
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