[2-[(17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate
基本情報
- CAS
141544-59-4- 標準SMILES
C=CC1CCC2C3CCC4C(OC5OC(C)C(O)C(OC)C5OC(C)=O)C(O)CCC4(C)C3CCC12C- InChIKey
GKECJXKITDFENW-UHFFFAOYSA-N- 分子式
- C30H48O7
- 平均分子量
- 520.7 g/mol
- 単同位体質量
- 520.34000387
名称と識別子
- 優先名称
- [2-[(17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate
- IUPAC
- [2-[(17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate
名称と別名
[2-[(17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetateDTXSID509311183-Hydroxypregn-20-en-4-yl 2-O-acetyl-6-deoxy-3-O-methylhexopyranoside
データベース識別子
- CAS
141544-59-4- PubChem CID
- 3081860
- DTXSID
DTXSID50931118
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 94.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 6
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 863
関連反応
0 件
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