3-((9-(((E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoyl)oxy)-2-hydroxypropyl-1,1,2,3,3-d5 St

Analyte Name

3-((9-(((E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoyl)oxy)-2-hydroxypropyl-1,1,2,3,3-d5 St

Molecular Formula

C47H79D5O12

Molecular Weight

846.2

Accurate Mass

845.63

SMILES

OC(C([2H])([2H])OC(CCCCCCCCOC(/C=C(C)/C[C@H](OC1)[C@H](O)[C@H](O)[C@H]1C[C@H]2[C@](O2)([H])[C@@H](C)[C@@H](O)C)=O)=O)([2H])C([2H])([2H])OC(CCCCCCCCCCCCCCCCC)=O

InChI

InChI=1S/C47H84O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-42(50)57-33-39(49)34-58-43(51)27-24-21-18-19-22-25-28-55-44(52)30-35(2)29-40-46(54)45(53)38(32-56-40)31-41-47(59-41)36(3)37(4)48/h30,36-41,45-49,53-54H,5-29,31-34H2,1-4H3/b35-30+/t36-,37-,38-,39?,40-,41-,45+,46-,47-/m0/s1/i33D2,34D2,39D

IUPAC

3-((9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoyl)oxy)-2-hydroxypropyl-1,1,2,3,3-d5 stearate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat