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[17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

HCID 314141
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Basic information

CAS
30040-80-3
Standard SMILES
CC(=O)NCC(C)CCC(=O)C(C)C1C(OC(C)=O)CC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC21C
InChIKey
GZONFALFKXDQAG-UHFFFAOYSA-N
Molecular formula
C33H51NO6
Average molar mass
557.8 g/mol
Monoisotopic mass
557.37163835

Names & identifiers

Preferred name
[17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC
[17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Names & synonyms

30040-80-3NSC231316[17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateDTXSID00310717NSC-23131626-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate

Database identifiers

CAS
30040-80-3
PubChem CID
314141
DTXSID
DTXSID00310717

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
98.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
40
Formal charge
0
Complexity
1,040

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