主记录
LONIAVLTQYVYQE-SSVRXCMJSA-N
- CAS
- 1350915-20-6
- PubChem CID
- 54761067
- SMILES
- CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)OS(=O)(=O)C(F)(F)F)C)C)C(=O)OCC6=CC=CC=C6
- 分子式
- C38H51F3O5S
- 分子量
- 676.882
- 精确分子量
- 676.3409
- InChI
- InChI=1S/C38H51F3O5S/c1-24(2)26-15-20-37(32(42)45-23-25-11-9-8-10-12-25)22-21-35(6)27(31(26)37)13-14-29-34(5)18-17-30(46-47(43,44)38(39,40)41)33(3,4)28(34)16-19-36(29,35)7/h8-12,17,26-29,31H,1,13-16,18-23H2,2-7H3/t26-,27+,28-,29+,31+,34-,35+,36+,37-/m0/s1
- InChIKey
- LONIAVLTQYVYQE-SSVRXCMJSA-N
- LogP
- 9.7474
- TPSA
- 69.67
名称与别名
- LONIAVLTQYVYQE-SSVRXCMJSA-N
- SCHEMBL9106538
- CHEMBL5288588
- (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-benzyl 5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-(((trifluoromethyl)sulfonyl)oxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
- (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-benzyl 5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-(trifluoromethylsulfonyloxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
- 1350915-20-6