Gal-C4-Chol

cas: 219850-70-1 — see every product listed under this CAS number, including other names

Gal-C4-Chol (CAS 219850-70-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-amino-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino]butyl]carbamate (CAS 219850-70-1) is a chemical compound with the molecular formula C40H69N3O7S and a molecular weight of 736.1 g/mol. IUPAC name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-amino-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino]butyl]carbamate. InChIKey: PBJFOZIVIPXMIR-KGCCIUTFSA-N.

Identity
Molecular formulaC40H69N3O7S
Molecular weight736.1 g/mol
IUPAC name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-amino-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino]butyl]carbamate
InChIKeyPBJFOZIVIPXMIR-KGCCIUTFSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCCN=C(CS[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)N)C)C

Computed by PubChem (NCBI)

Synonyms: Gal-C4-Chol, orb2944100

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