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4-[[(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]oxy]-4-oxobutanoic acid;morpholine

HCID 178652124
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Basic information

CAS
52910-93-7
Standard SMILES
C1COCCN1.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
FDPFIINHMGTUEA-XTCKSVDZSA-N
Molecular formula
C35H59NO5
Average molar mass
573.8 g/mol
Monoisotopic mass
573.43932398

Names & identifiers

Preferred name
4-[[(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]oxy]-4-oxobutanoic acid;morpholine
IUPAC
4-[[(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]oxy]-4-oxobutanoic acid;morpholine
English name
CHOLESTERYL HEMISUCCINATE MORPHOLINE)
Molecular formula
C35H59NO5
Molecular weight
573.86

Names & synonyms

CHOLESTERYL HEMISUCCINATE MORPHOLINE)

Database identifiers

CAS
52910-93-7
PubChem CID
131880346

Properties

Computed structural properties

Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
41
Formal charge
0
Complexity
849

Physicochemical properties

storage temp.
-20 °C · -20°C

Chemistry & industry

Suppliers1 total

SIGMAALDRICH—

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Compound notes

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