| CAS Number | 151519-50-5 |
| Catalog Number | AG00ADFY(AGN-PC-0Q644U) |
| Chemical Name | 7-O-Demethyl Rapamycin (~80%) |
| IUPAC Name | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,30-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
| InChI | InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)40(53)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)61-8)28-41(54)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-40,42-43,45-46,52-53,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,40+,42+,43-,45-,46+,50-/m1/s1 |
| InChI Key | ZHYGVVKSAGDVDY-QQQXYHJWSA-N |
| MDL Number | MFCD24386508 |
| Molecular Formula | C50H77NO13 |
| Molecular Weight | 900.1453 |
| SMILES | CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(/C)[C@@H](O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)CC[C@H]1O |
| UNII | 2719UAHUA8 |
| Synonyms | novolimus,
UNII-2719UAHUA8,
2719UAHUA8,
7-O-Demethyl Cypher,
16-O-Demethylsirolimus,
7-O-Demethyl Rapamycin,
Novolimus,
151519-50-5,
7-O-Demethylrapamycin,
7-O-Demethylsirolimus,
16-O-Demethylrapamycin,
7-O-Demethyl Rapammune,
7-O-Demethyl Sirolimus,
Rapamycin, 7-O-demethyl-,
SCHEMBL7715643,
CHEMBL3544688,
N-929-89B,
CJ-12263,
|