Rapamycin-13C,d3 (contains d0) Technical Grade

Analyte Name

Rapamycin-13C,d3

Molecular Formula

C50¹³CH76D3NO13

Molecular Weight

918.18

Accurate Mass

917.58

SMILES

[H][C@]1(C(O[C@@]([H])(CC([C@H](C)/C=C([C@@H](O)[C@H]2OC)\C)=O)[C@@H](CC3([H])C[C@@H](OC)[C@H](O)CC3)C)=O)N(C(C([C@@]4(O)[C@H](C)CC[C@@]([H])(C[C@H](O[13C]([2H])([2H])[2H])/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C2=O)O4)=O)=O)CCCC1

InChI

InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30?,32?,33?,34?,36?,37-,38-,39-,40+,42?,43-,44?,46+,47?,51+/m0/s1/i8+1D3

IUPAC

(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-((R)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-10-methoxy-21-(methoxy-13C-d3)-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentaone

Unlabelled CAS Number

53123-88-9

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat