Analyte Name

Sirolimus-d3

CAS Number

392711-19-2

Molecular Formula

C51 2H3 H76 N O13

Molecular Weight

917.19

Accurate Mass

916.574

SMILES

[2H]C([2H])([2H])O[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C\1/C)[C@H](C)C[C@@H]4CC[C@@H](O)[C@@H](C4)OC

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-/m1/s1/i8D3

Unlabelled CAS Number

53123-88-9

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

CANADA

Tariff Code

28459010