Analyte Name

Phenylmethyl (3alpha,5beta,7alpha)-6-Ethylidene-3,7-dihydroxy-cholan-24-oic Acid Ester-d5

Molecular Formula

C33 D5 H43 O4

Molecular Weight

513.763

Accurate Mass

513.387

SMILES

[2H]\C(=C/1\C2C[C@H](O)CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4[C@@H]3[C@]1([2H])O)[C@H](C)CCC(=O)OCc5ccccc5)\C([2H])([2H])[2H]

InChI

InChI=1S/C33H48O4/c1-5-24-28-19-23(34)15-17-33(28,4)27-16-18-32(3)25(12-13-26(32)30(27)31(24)36)21(2)11-14-29(35)37-20-22-9-7-6-8-10-22/h5-10,21,23,25-28,30-31,34,36H,11-20H2,1-4H3/b24-5+/t21-,23-,25-,26?,27?,28?,30+,31-,32-,33-/m1/s1/i1D3,5D,31D

IUPAC

benzyl (4R)-4-[(3R,6E,7S,8S,10R,13R,17R)-7-deuterio-3,7-dihydroxy-10,13-dimethyl-6-(1,2,2,2-tetradeuterioethylidene)-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Unlabelled CAS Number

1352328-67-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat