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Bexarotene Acyl-Beta-D-glucuronide

ISO 17034:
Catalog Number : CS-T-06430
CAS Number : 198700-33-3
Status : Available
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Chemical Information

Chemical Name : Bexarotene Acyl-Beta-D-glucuronide
Category : Impurity Standards
Therapeutic : Anti-Cancer / Oncology

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Additional Information

Canonical SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)C(CCC2(C)C)(C)C
Isomeric SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)O)O)O)O)C(CCC2(C)C)(C)C
InChI : InChI=1S/C30H36O8/c1-15-13-20-21(30(5,6)12-11-29(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)27(36)38-28-24(33)22(31)23(32)25(37-28)26(34)35/h7-10,13-14,22-25,28,31-33H,2,11-12H2,1,3-6H3,(H,34,35)/t22?,23-,24?,25?,28-/m0/s1
InchIKey : VINSDXGLDYSZBG-ZRLJOZSPSA-N
IUPAC Name : (3S,6S)-3,4,5-trihydroxy-6-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl]oxyoxane-2-carboxylic acid
Exact Mass : 524.24101810

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