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10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione (HCID 624713)|Huagongshe
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Compound
10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
HCID
624713
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC12C=CC(=O)C=C1C=CC1C2CCC2(C)C(=O)CCC12
InChIKey
DKVSUQWCZQBWCP-UHFFFAOYSA-N
Molecular formula
C19H22O2
Average molar mass
282.4 g/mol
Names & identifiers
Preferred name
10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC
10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
Database identifiers
PubChem CID
624713
Properties
Computed structural properties
XLogP
3
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
21
Formal charge
0
Complexity
623
Show all 8
Show all 8 / 8
Related reactions
4 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
697516
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
804325
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
836801
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
2130759
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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