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Structure

Glycodehydrocholic acid

CAS
3415-45-0
Catalog Number
ACM3415450
Category
Other Products
Molecular Weight
459.58
Molecular Formula
C26H37NO6

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Specification

Synonyms
GLYCINE DEHYDROCHOLATE; Dehydrocholylglycine;
IUPAC Name
2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]aceticacid
Canonical SMILES
CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
InChI Key
ZDPYMJNWJWJTAF-HHELISEZSA-N
Exact Mass
459.26200
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