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[2-[(16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]-2-oxoethyl] octadecanoate

HCID 178442996
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OC1C(CC)CC2C3CCC4=CC(=O)CCC4C3CCC21C
InChIKey
ASMXKRHZUVBOCH-UHFFFAOYSA-N
Molecular formula
C40H66O5
Average molar mass
626.9 g/mol
Monoisotopic mass
626.4910252

Names & identifiers

IUPAC
[2-[(16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]-2-oxoethyl] octadecanoate

Database identifiers

PubChem CID
20236518

Properties

Computed structural properties

XLogP
12.5
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
22
Heavy atoms
45
Formal charge
0
Complexity
970

Related reactions

1 records
New reaction record
HRID 812512 reaction equation
HRID 812512As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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