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1,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

HCID 627180
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C21C
InChIKey
OYGFFDKBBBWEGR-UHFFFAOYSA-N
Molecular formula
C20H28O2
Average molar mass
300.4 g/mol

Names & identifiers

Preferred name
1,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC
1,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

NS00005624

Database identifiers

PubChem CID
627180

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Formal charge
0
Complexity
574

Related reactions

4 records
New reaction record
HRID 184403 reaction equation
HRID 184403As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 806420 reaction equation
HRID 806420As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 815796 reaction equation
HRID 815796As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1230767 reaction equation
HRID 1230767As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes