Nome dell'analita

(19E/Z)-seco-[4-O-(2-Hydroxyethyl)] Rapamycin Sodium Salt

Formula molecolare

C53 H82 N Na O14

Peso molecolare

980.206

Massa accurata

979.563

SMILES

CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[Na])\C(=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(=C\[C@@H](C)C(=O)\C=C\[C@H](C)C[C@@H]3CC[C@@H](OCCO)[C@@H](C3)OC)\C)\C

InChI

InChI=1S/C53H83NO14.Na/c1-33(16-12-11-13-17-35(3)45(64-8)32-41-22-20-39(7)53(63,68-41)50(59)51(60)54-25-15-14-18-42(54)52(61)62)28-37(5)47(57)49(66-10)48(58)38(6)30-36(4)43(56)23-19-34(2)29-40-21-24-44(67-27-26-55)46(31-40)65-9;/h11-13,16-17,19,23,30,33-34,36-37,39-42,44-46,48-49,55,58,63H,14-15,18,20-22,24-29,31-32H2,1-10H3,(H,61,62);/q;+1/p-1/b13-11+,16-12+,23-19+,35-17+,38-30+;/t33-,34+,36-,37-,39-,40+,41+,42+,44-,45+,46-,48-,49+,53-;/m1./s1

IUPAC

[(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-(2-hydroxyethoxy)-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-carbonyl]oxysodium

CAS alternativo

for 19Z: 220127-31-1 ; for 19E (free acid): 1062122-63-7

Paese di origine

CANADA

Formato del prodotto

Neat