Product Code

TRC-F862515

CAS Number

261506-28-9

Product Format

Neat

Molecular Formula

C38H55F5O9S

Molecular Weight

782.89

Product Categories

TRC, Additional endogenous metabolites, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Fulvestrant 17-beta-D-Glucuronide

CAS Number

261506-28-9

Molecular Formula

C38H55F5O9S

Molecular Weight

782.89

Accurate Mass

782.3487

SMILES

C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

InChI

InChI=1S/C38H55F5O9S/c1-36-17-15-26-25-12-11-24(44)21-23(25)20-22(10-7-5-3-2-4-6-8-18-53(50)19-9-16-37(39,40)38(41,42)43)29(26)27(36)13-14-28(36)51-35-32(47)30(45)31(46)33(52-35)34(48)49/h11-12,21-22,26-33,35,44-47H,2-10,13-20H2,1H3,(H,48,49)/t22-,26-,27+,28+,29-,30+,31+,32-,33+,35-,36+,53?/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Fulvestrant 17-b-D-Glucuronide

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