25-Hydroxy-3-Epidehydrotumulosic Acid
基本情報
- CAS
167775-55-5- 標準SMILES
C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O- InChIKey
GDIGQYHXIOMOQU-NEAGZGJDSA-N- 分子式
- C31H48O5
- 平均分子量
- 500.7 g/mol
- 単同位体質量
- 500.35017463
概要
25-hydroxy-3-epidehydrotumulosic acid is a tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Poria cocos. It has a role as a fungal metabolite. It is a monocarboxylic acid, a tertiary alcohol, a tetracyclic triterpenoid and a secondary alcohol. It derives from a hydride of a lanostane.
名称と識別子
- 優先名称
- 25-Hydroxy-3-Epidehydrotumulosic Acid
- IUPAC
- (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid
名称と別名
25-hydroxy-3-epidehydrotumulosic acidCHEBI:68357167775-55-5(3alpha,16alpha)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid(2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid(2R)-2-((3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-hydroxy-6-methyl-5-methylideneheptanoic acidRefChem:8988325-Hydroxy-3-epidehydrotumulosateCHEMBL465660SCHEMBL31223151DTXSID501288202Q27136854
名称をさらに表示
3alpha,16alpha,25-Trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid
データベース識別子
- CAS
167775-55-5
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 98 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 1,000
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…