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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O |
|---|---|
| IUPAC Name | 11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | VKHAHZOOUSRJNA-UHFFFAOYSA-N |
| INCHI | 1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 |
| Molecular Weight | 429.600 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Oxosteroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxosteroids |
| Alternative Parents | 3-oxosteroids 17-hydroxysteroids Dialkylarylamines Aniline and substituted anilines Cyclohexenones Ynones Tertiary alcohols Cyclic alcohols and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Ynone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Tertiary amine - Ketone - Alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 429.600 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 429.267 Da |
| Monoisotopic Mass | 429.267 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 921.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one - CAS No(4196) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1040670.jpg)