| Synonyms |
1818868-23-3; |
| IUPAC Name |
(1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1-hydroxy-4-methylsulfonylcyclohexyl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight |
770.13 |
| Molecular Formula |
C46H72FNO5S |
| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)S(C)(=O)=O)CCN[C@]23[C@@]([C@@H](CC3)C(C)=C)([H])[C@]4([H])[C@@](CC2)([C@]5([C@]([C@@]6([C@@](C(C)(C(C7=CC[C@@](C(O)=O)(CF)CC7)=CC6)C)([H])CC5)C)([H])CC4)C)C |
| InChI |
InChI=1S/C46H72FNO5S/c1-30(2)33-15-24-46(48-28-27-45(51)22-13-32(14-23-45)54(8,52)53)26-25-42(6)35(38(33)46)9-10-37-41(5)18-16-34(40(3,4)36(41)17-19-43(37,42)7)31-11-20-44(29-47,21-12-31)39(49)50/h11,16,32-33,35-38,48,51H,1,9-10,12-15,17-29H2,2-8H3,(H,49,50)/t32?,33-,35+,36-,37+,38+,41-,42+,43+,44-,45?,46+/m0/s1 |
| InChIKey |
MOKRSVAREFEYFD-IRIQEEJMSA-N |
| Storage |
Please store the product under the recommended conditions in the Certificate of Analysis. |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/1818868-23-32d.gif)
