(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

C23H32O — CID 143701747

IUPAC(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SMILESC=C(C)C1CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CCC12C
InChIInChI=1S/C23H32O/c1-14(2)18-6-7-19-17-12-15(3)21-13-16(24)8-10-23(21,5)20(17)9-11-22(18,19)4/h12-13,17-20H,1,6-11H2,2-5H3/t17?,18?,19?,20?,22?,23-/m1/s1
InChIKeyLQUXSOOHQMZTOX-GXUMUYLRSA-N
MW324.51 g/mol
LogP5.88
Rot. Bonds1

About (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (PubChem CID 143701747) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
PubChem CID143701747
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SMILESC=C(C)C1CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CCC12C
InChIInChI=1S/C23H32O/c1-14(2)18-6-7-19-17-12-15(3)21-13-16(24)8-10-23(21,5)20(17)9-11-22(18,19)4/h12-13,17-20H,1,6-11H2,2-5H3/t17?,18?,19?,20?,22?,23-/m1/s1
InChIKeyLQUXSOOHQMZTOX-GXUMUYLRSA-N
XLogP5.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(13S)-17-acetyl-6,10,13-trimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 66668707
(8S,9S,10R,13S,14S)-17-acetyl-6,10,13-trimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;methyl acetate
CID 168893715
(8R,9S,10R,13S,14S)-6,10,13-trimethyl-16-methylidene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 54425312
(8S,9S,10R,13S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 126756192
6,10,13-trimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 12769530
(8S,9S,10R,13R,14S,17R)-6,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 163466842
[(8S,9R,10R,13S,14R,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 26604441
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate;hydrochloride
CID 140557798
(8R,9S,10R,13S,14S)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 90965160
[(8S,9R,10R,13S,14R,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 11872394
17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;prop-1-en-2-ol
CID 142850069
(8S,9S,10R,13S,14R,17R)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 124514851

Frequently Asked Questions

What is the IUPAC name of (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (CID 143701747) is (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one is C=C(C)C1CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CCC12C.
What is the InChIKey of (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is LQUXSOOHQMZTOX-GXUMUYLRSA-N. The full InChI is InChI=1S/C23H32O/c1-14(2)18-6-7-19-17-12-15(3)21-13-16(24)8-10-23(21,5)20(17)9-11-22(18,19)4/h12-13,17-20H,1,6-11H2,2-5H3/t17?,18?,19?,20?,22?,23-/m1/s1.
What are the key properties of (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one?
(10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 324.51 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-6,10,13-trimethyl-17-prop-1-en-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 143701747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).