基本情報
- 標準SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCCCC(=O)NC(CO)CO)CCC4(C)C3CCC12C- InChIKey
WVIXSZMOXPCBSL-UHFFFAOYSA-N- 分子式
- C37H64N2O5
- 平均分子量
- 616.9 g/mol
名称と識別子
- 優先名称
- [5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-(1,3-dihydroxypropan-2-ylamino)-6-oxohexyl]carbamate
名称と別名
SCHEMBL3422824WVIXSZMOXPCBSL-UHFFFAOYSA-N[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
データベース識別子
- PubChem CID
- 68636631
物性
構造計算による物性
- XLogP
- 8
- 極性表面積
- 108 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
- 16
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 979
関連反応
4 件
関連ノート
読み込み中…