Analyte Name

28-Nor Brassinolide-d3

CAS Number

313350-52-6

Molecular Formula

C27 D3 H43 O6

Molecular Weight

469.669

Accurate Mass

469.348

SMILES

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

InChI

InChI=1S/C27H46O6/c1-14(2)10-22(29)24(31)15(3)17-6-7-18-16-13-33-25(32)20-11-21(28)23(30)12-27(20,5)19(16)8-9-26(17,18)4/h14-24,28-31H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1/i1D3/t14?,15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+

IUPAC

(1S,2R,4R,5S,7S,11S,12S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-15-[(2S,3R,4R)-7,7,7-trideuterio-3,4-dihydroxy-6-methylheptan-2-yl]-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

Unlabelled CAS Number

77736-43-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat