About: 5,6,8a-Trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

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About: 5,6,8a-Trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₂₀H₂₉NO₃

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₂₀H₂₉NO₃ (en) група стереоізомерів з хімічною формулою C₂₀H₂₉NO₃ (uk)
rdfs:label	5,6,8a-Trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (en)
skos:prefLabel	5,6,8a-Trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (en)
name	5,6,8a-Trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (en)
instance of	wds:Q105256190-89E17797-4CCB-4577-A5E5-634134D4F3A1
instance of	group of stereoisomers
subclass of	wds:Q105256190-00A50731-8997-41B9-A86D-A9CEE9F1FC4E wds:Q105256190-CE986C32-B936-44F5-A904-BD0325905310
subclass of	alkaloid clerodane diterpenoid
found in taxon	wds:Q105256190-592362E0-7755-4EB4-88D3-034B1C20486B
found in taxon	Aquarius macrophyllus
UniChem compound ID	wds:Q105256190-1409A563-8DE6-40CA-9BA2-D5CC60370CFA
canonical SMILES	wds:Q105256190-2941FDBB-28AC-4E72-BAC5-0B2A6C77D63C
InChI	wds:Q105256190-4A2BF8A2-7428-4B4D-90B8-FAB8D60AE85E
InChIKey	wds:Q105256190-2BBA197F-E979-4D6C-B3AC-B525C5F9E3A4
chemical formula	wds:Q105256190-9D59BAA1-9FF4-4C11-B36C-0593A0EBCAD9
PubChem CID	wds:Q105256190-A1DA21F6-2BB1-4CC6-BAFB-DE7D9150C027
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID85249758
UniChem compound ID	90670868
canonical SMILES	CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CCNC1=O
InChI	InChI=1S/C20H29NO3/c1-13-7-10-20(3)15(18(23)24)5-4-6-16(20)19(13,2)11-8-14-9-12-21-17(14)22/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKey	SMVIBINEORXRIL-UHFFFAOYSA-N
chemical formula	C₂₀H₂₉NO₃
PubChem CID	85249758
mass	wds:Q105256190-AC7B2292-8C41-491C-AED6-8D735A5B7FE0
mass	331.214743788 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105256190
is subclass of of	(4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8aR)-5-[2-(2-hydroxy-5H-pyrrol-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
is subclass of of	wds:Q105256188-A49504E8-81DB-4387-A6F2-5EDAF022A8EF wds:Q105256189-FD08E31F-E692-4A08-BFCE-D12ED3CC9AED
is main subject of	Echinophyllins A and B, novel nitrogen-containing clerodane diterpenoids from Echinodorus macrophyllus
is main subject of	wds:Q104967888-41259F42-5517-425A-B4F3-3416FA3BB67B

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