Analyte Name

(3a,5a,7a,12a,23S)-Cholestane-3,7,12,23,25-pentol-d6

Molecular Formula

C27 H42 D6 O5

Molecular Weight

458.71

Accurate Mass

458.3878

SMILES

[2H]C([2H])([2H])C(O)(C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C([2H])([2H])[2H]

InChI

InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3

IUPAC

(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(1R,3S)-6,6,6-trideuterio-3,5-dihydroxy-1-methyl-5-(trideuteriomethyl)hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat