Tetrahydrocortisol 21-O-(1-Ethoxy Ethyl) Ether-d6

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Analyte Name

Tetrahydrocortisol 21-O-(1-Ethoxy Ethyl) Ether-d6

Molecular Formula

C25 D6 H36 O6

Molecular Weight

444.634

Accurate Mass

444.336

SMILES

[2H]C([2H])(OC(C)OCC)C(=O)[C@@]1(O)CCC2C3CC[C@@H]4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3[C@@H](O)C[C@]12C

InChI

InChI=1S/C25H42O6/c1-5-30-15(2)31-14-21(28)25(29)11-9-19-18-7-6-16-12-17(26)8-10-23(16,3)22(18)20(27)13-24(19,25)4/h15-20,22,26-27,29H,5-14H2,1-4H3/t15?,16-,17-,18?,19?,20+,22?,23+,24+,25+/m1/s1/i8D2,12D2,14D2

IUPAC

2,2-dideuterio-2-(1-ethoxyethoxy)-1-[(3R,5R,10S,11S,13S,17R)-2,2,4,4-tetradeuterio-3,11,17-trihydroxy-10,13-dimethyl-1,3,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat