Catalog Number:
AG001L0I
Chemical Name:
Seco Rapamycin Sodium
CAS Number:
148554-65-8
Molecular Formula:
C51H78NNaO13
Molecular Weight:
936.1537
MDL Number:
MFCD09841237
IUPAC Name:
sodium;(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
InChI:
InChI=1S/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60);/q;+1/p-1/b13-11+,16-12+,23-19+,33-17+,36-28+;/t31-,32+,34-,35-,37-,38+,39+,40+,42-,43+,44-,46-,47+,51-;/m1./s1
InChI Key:
DNMSBJYMPJMFNS-OWGFPTNRSA-M
SMILES:
CO[C@@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]1CC[C@H]([C@](O1)(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)[O-])C)OC)\C)C)C)[C@@H](/C(=C/[C@H](C(=O)/C=C/[C@@H](C[C@@H]1CC[C@H]([C@@H](C1)OC)O)C)C)/C)O.[Na+]
