Peruvoside-d3

Analyte Name

Peruvoside-d3

Molecular Formula

C30 D3 H41 O9

Molecular Weight

551.683

Accurate Mass

551.317

SMILES

[2H]C1=C([C@H]2CC[C@]3(O)[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C=O)[C@H]4CC[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]6O)C([2H])([2H])OC1=O

InChI

InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1/i12D,14D2

IUPAC

(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(2,2,4-trideuterio-5-oxofuran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Unlabelled CAS Number

1182-87-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat