主记录
VCXLWWRJSXCITP-LTJMNYHZSA-N
- CAS
- 1350915-22-8
- PubChem CID
- 67776728
- 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)C6=CC=C(C=C6)C(=O)OC)C)C)C(=O)OCC7=CC=CC=C7
- 分子式
- C45H58O4
- 分子量
- 662.955
- 精确分子量
- 662.4335
- InChI
- InChI=1S/C45H58O4/c1-29(2)33-20-25-45(40(47)49-28-30-12-10-9-11-13-30)27-26-43(6)35(38(33)45)18-19-37-42(5)23-21-34(31-14-16-32(17-15-31)39(46)48-8)41(3,4)36(42)22-24-44(37,43)7/h9-17,21,33,35-38H,1,18-20,22-28H2,2-8H3/t33-,35+,36-,37+,38+,42-,43+,44+,45-/m0/s1
- InChIKey
- VCXLWWRJSXCITP-LTJMNYHZSA-N
- LogP
- 10.8675
- TPSA
- 52.6
名称与别名
- SCHEMBL9109624
- VCXLWWRJSXCITP-LTJMNYHZSA-N
- (1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR 13bR)-benzyl 9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-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,11aS,11bR,13aR,13bR)-benzyl 9-(4-(methoxycarbonyl)phenyl)-5 a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-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,11aS,11bR,13aR,13bR)-benzyl 9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-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,11aS,11bR,13aR13bR)-benzyl 9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-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
- 1350915-22-8