| CAS Number | 881179-02-8 |
| Catalog Number | AG01EO48(AGN-PC-0VJ3XS) |
| Chemical Name | Lith-O-Asp |
| IUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2S)-2-amino-3-carboxypropanoyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI | InChI=1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1 |
| InChI Key | NUUCRVJEHQBAKP-CNZWOIIDSA-N |
| MDL Number | MFCD31692386 |
| Molecular Formula | C28H45NO6 |
| Molecular Weight | 491.66 |
| SMILES | C[C@@]12[C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]1([H])[C@]1([H])CC[C@]3([H])C[C@H](OC(=O)[C@@H](N)CC(=O)O)CC[C@]3(C)[C@@]1([H])CC2 |
| Synonyms | Lith-O-Asp,
881179-02-8,
HY-112415,
CS-0045570,
3alpha-(alpha-Aspartyloxy)-5beta-cholane-24-oic acid,
CID11698848,
CID 11698848,
|