基本情報
- CAS
82245-38-3- 標準SMILES
CCCCCCCCCCCCCC1(CC(=O)OC2C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C3C(C)(C)C23OC(C)=O)OCC(C)(C)N1[O]- InChIKey
RFPCGVSSBBBMGS-UHFFFAOYSA-N- 分子式
- C42H66NO10
- 平均分子量
- 745 g/mol
- 単同位体質量
- 744.4686723
名称と識別子
- 優先名称
- 2-(2-((9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl)oxy)-2-oxoethyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy
- IUPAC
- [2-(2-{[9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl]oxy}-2-oxoethyl)-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-3-yl]oxidanyl
名称と別名
82245-38-32-(2-((9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl)oxy)-2-oxoethyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyCCRIS 30682-[2-[[9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl]oxy]-2-oxoethyl]-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyDTXSID201002580[2-(2-{[9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl]oxy}-2-oxoethyl)-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-3-yl]oxidanyl2-[2-[[9A-(ACETYLOXY)-1A,1B,4,4A,5,7A,7B,8,9,9A-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8- TETRAMETHYL-5-OXO-1H-CYCLOPROPA[3,4]BENZ[1,2-E]AZULEN-
データベース識別子
- CAS
82245-38-3- PubChem CID
- 150732
- DTXSID
DTXSID201002580
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 144 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 10
- 回転可能結合数
- 19
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,450
関連反応
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