主记录
Bufospirostenin A
- CAS
- 2097252-84-9
- PubChem CID
- 139049674
- SMILES
- C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5C[C@H](C[C@H]5[C@]4(C)O)O)C)O[C@]16CCC(=C)CO6
- 分子式
- C27H40O4
- 分子量
- 428.613
- 精确分子量
- 428.2927
- InChI
- InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)13-22-19-6-5-17-11-18(28)12-21(17)26(4,29)20(19)8-9-25(22,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1
- InChIKey
- LANURVLXXUHGAU-REBNKZOFSA-N
- LogP
- 4.6048
- TPSA
- 58.92
名称与别名
- Bufospirostenin A
- RefChem:121860
- orb1941963
- CHEMBL4208867
- HY-N10180
- DA-71807
- CS-0370249
- 2097252-84-9
- A974775
- (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro(5-oxapentacyclo(10.8.0.02,9.04,8.014,18)icos-18-ene-6,2'-oxane)-13,16-diol
- (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol