(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

HCID 4903
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Basic information

Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
InChIKey
DIJBBUIOWGGQOP-UHFFFAOYSA-N
Molecular formula
C21H32O5S
Average molar mass
396.5 g/mol
Monoisotopic mass
396.19704529

Names & identifiers

Preferred name
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate
IUPAC
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

Names & synonyms

CHEMBL141573SCHEMBL20503211DIJBBUIOWGGQOP-UHFFFAOYSA-N(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

Database identifiers

PubChem CID
4903
ChEMBL
CHEMBL141573

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

Related reactions

1 records
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Linked notes

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