(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid · CAS 80489-65-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- CAS
- 80489-65-2
- CID
- 69052741
- IUPAC 名称
- (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- CAS
- 80489-65-2
- CID
- 69052741
- IUPAC 名称
- (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
分子属性
- 分子式
- C30H48O4
- 分子量
- 472.7 g/mol
- 精确质量
- 472.35526001 Da
- 单同位素质量
- 472.35526001 Da
- XLogP
- 5.9
- 极性表面积
- 77.8 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 892
结构标识
- InChIKey
- UBLKZBSRTSLNTC-RSMHQWJTSA-N
- SMILES
- C[C@H]1[C@@H](CC[C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O)CO
- InChI
- InChI=1S/C30H48O4/c1-18-19(17-31)9-14-30(25(33)34)16-15-28(5)20(24(18)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19-,21?,22+,23-,24-,27-,28+,29+,30-/m0/s1