Analyte Name

Typhasterol-d6

Molecular Formula

C28H42D6O4

Molecular Weight

454.72

Accurate Mass

453.39

SMILES

C[C@@H](C(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@H](O)[C@H](O)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC([C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O

InChI

InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1/i1D3,2D3

IUPAC

(3R,5S,8S,9S,10R,13S,14S,17R)-17-((2S,3R,4R,5S)-3,4-dihydroxy-5-methyl-6-(methyl-d3)heptan-2-yl-7,7,7-d3)-3-hydroxy-10,13-dimethylhexadecahydro-6H-cyclopenta[a]phenanthren-6-one

Unlabelled CAS Number

87734-68-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat