Analyte Name

(2S)-3-((2R,5R)-3-acetamido-6-(((2R,5R)-5-acetamido-4-acetyloxy-2-methoxycarbonyl-6-((1S,2R)-1,2,3-triacetyloxypropyl)oxan-2-yl)oxymethyl)-4-benzoyloxy-5-hydroxyoxan-2-yl)oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Molecular Formula

C32H42D4O5

Molecular Weight

514.73

Accurate Mass

514.36

SMILES

[H][C@]1([C@H](C)/C=C/[C@H](C2(C([2H])([2H])C2([2H])[2H])/C=C/C(OCC)=O)O)CC[C@@]([C@]1(C)CCC/3)([H])C3=C\C=C(C[C@@H](O)C[C@@H]4O)/C4=C

InChI

InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14+,23-9+,24-10-/t21?,25-,26-,27+,28+,29-,31?/m1/s1/i17D2,18D2

IUPAC

ethyl (E)-3-(1-((1R,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-hydroxypent-2-en-1-yl)cyclopropyl-2,2,3,3-d4)acrylate

Unlabelled CAS Number

186371-96-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat