About: (9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

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About: (9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	(9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (en)
skos:prefLabel	(9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (en)
name	(9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (en)
isomeric SMILES	wds:Q105237541-E1DE38F0-7905-4B59-9903-6DEF85EB9F3D
stereoisomer of	wds:Q105237541-27A4A379-0845-4271-961E-8EEF5ED37F29
isomeric SMILES	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
stereoisomer of	ergosta-4,6,8(14)-trien-3-one
instance of	wds:Q105237541-5030F967-D839-41D9-AB05-509D99453F21
instance of	type of chemical entity
subclass of	wds:Q105237541-AFEBF332-54B0-4F55-B339-FA6991C39F52
subclass of	1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
found in taxon	wds:Q105237541-34A95F24-65B1-4C1E-8D84-AC432C58E6E9
found in taxon	Lamellodysidea herbacea
canonical SMILES	wds:Q105237541-F1E1C7F5-BB0C-4EA0-A2F0-5387E2338324
InChI	wds:Q105237541-7121A4E7-09CE-4D3C-B5BB-5C8BB4E23105
InChIKey	wds:Q105237541-AF948ABD-FA3A-4E82-9823-685BD10181B6
chemical formula	wds:Q105237541-87FBA2C5-57EC-457E-83BF-4D439ED138E7
PubChem CID	wds:Q105237541-76DB8B36-C36F-4A87-BA45-972C4C580A0D
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162892444
canonical SMILES	O=C1C=C2C=CC3=C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)CC1
InChI	InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,17-20,24,26H,7-8,11-16H2,1-6H3/t19-,20-,24-,26+,27+,28-/m1/s1
InChIKey	RJJJGGWJMPYXMY-QRQATKAJSA-N
chemical formula	C₂₈H₄₂O
PubChem CID	162892444
mass	wds:Q105237541-4E32BF91-DB07-43E3-B7D0-9B75983E7C01
mass	394.323565964 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105237541
is stereoisomer of of	ergosta-4,6,8(14)-trien-3-one
is stereoisomer of of	wds:Q27236386-29DDB96F-F009-4CD0-AA6D-6C300825E8C2
is main subject of	Marine Sterols. XXII. Occurrence of 3-Oxo-4,6,8(14)-triunsaturated Steroids in the Sponge Dysidea herbacea.
is main subject of	wds:Q104913346-E55C308D-C776-44E9-BACA-06752CB59826

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