(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

C20H26O3 — CID 10710388

IUPAC(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
InChIInChI=1S/C20H26O3/c1-19-8-6-12(21)10-16(19)17(23-3)11-13-14-4-5-18(22)20(14,2)9-7-15(13)19/h6,8,10,13-15,17H,4-5,7,9,11H2,1-3H3/t13-,14-,15-,17+,19+,20-/m0/s1
InChIKeyDMKRZIKUGNDODB-XOJMLDNQSA-N
MW314.42 g/mol
LogP3.49
Rot. Bonds1

About (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 10710388) has the molecular formula C20H26O3 and a molecular weight of 314.42 g/mol. Its IUPAC name is (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID10710388
Molecular FormulaC20H26O3
Molecular Weight314.42 g/mol
Exact Mass314.19
IUPAC Name(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
InChIInChI=1S/C20H26O3/c1-19-8-6-12(21)10-16(19)17(23-3)11-13-14-4-5-18(22)20(14,2)9-7-15(13)19/h6,8,10,13-15,17H,4-5,7,9,11H2,1-3H3/t13-,14-,15-,17+,19+,20-/m0/s1
InChIKeyDMKRZIKUGNDODB-XOJMLDNQSA-N
XLogP3.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (CID 10710388) is (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione is CO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12.
What is the InChIKey of (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is DMKRZIKUGNDODB-XOJMLDNQSA-N. The full InChI is InChI=1S/C20H26O3/c1-19-8-6-12(21)10-16(19)17(23-3)11-13-14-4-5-18(22)20(14,2)9-7-15(13)19/h6,8,10,13-15,17H,4-5,7,9,11H2,1-3H3/t13-,14-,15-,17+,19+,20-/m0/s1.
What are the key properties of (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
(6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 314.42 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,9S,10R,13S,14S)-6-methoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 10710388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).