About: [(3R,3aR,4S,5S,6S)-3,6-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3a,4,5,6,7-hexahydro-1H-azulen-4-yl] acetate

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About: [(3R,3aR,4S,5S,6S)-3,6-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3a,4,5,6,7-hexahydro-1H-azulen-4-yl] acetate 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	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	[(3R,3aR,4S,5S,6S)-3,6-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3a,4,5,6,7-hexahydro-1H-azulen-4-yl] acetate (en)
skos:prefLabel	[(3R,3aR,4S,5S,6S)-3,6-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3a,4,5,6,7-hexahydro-1H-azulen-4-yl] acetate (en)
name	[(3R,3aR,4S,5S,6S)-3,6-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3a,4,5,6,7-hexahydro-1H-azulen-4-yl] acetate (en)
isomeric SMILES	wds:Q105234908-9DEBE57A-69B7-43C4-B58A-211CCD396853
isomeric SMILES	CC(=O)O[C@H]1[C@@H](C(C)C)[C@@H](O)CC(C)=C2CC[C@@](C)(O)[C@H]21
instance of	wds:Q105234908-3BC202E2-D4EB-403D-ACF2-AB5239515C0E
instance of	type of chemical entity
subclass of	wds:Q105234908-44836F91-16FE-4517-AB94-A7284D18E5F5
subclass of	guaiane sesquiterpenoid
found in taxon	wds:Q105234908-4A6815EA-84A8-4D7D-95E1-FE90CA77E51D
found in taxon	Acanthella cavernosa
canonical SMILES	wds:Q105234908-658C99F9-5B1D-4028-AAFA-05618C29898F
InChI	wds:Q105234908-3CACBD50-F124-4DB6-9831-EBA0BA09E1ED
InChIKey	wds:Q105234908-8466584F-6844-4B66-9B82-BEDD82FF5B5A
chemical formula	wds:Q105234908-F4D075EA-FFF9-44CE-8CB4-8EF9A29130E4
PubChem CID	wds:Q105234908-CB5842C2-A050-45E2-9862-2AFD2EF282BB
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163105797
canonical SMILES	O=C(OC1C2C(=C(C)CC(O)C1C(C)C)CCC2(O)C)C
InChI	InChI=1S/C17H28O4/c1-9(2)14-13(19)8-10(3)12-6-7-17(5,20)15(12)16(14)21-11(4)18/h9,13-16,19-20H,6-8H2,1-5H3/t13-,14-,15+,16-,17+/m0/s1
InChIKey	REJCNTXYQCAGNA-ZOFXXKQRSA-N
chemical formula	C₁₇H₂₈O₄
PubChem CID	163105797
mass	wds:Q105234908-B0CC09EC-D714-4E7C-9FC1-31BAABF6F7BB
mass	296.198759376 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105234908
is main subject of	A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.
is main subject of	wds:Q39113111-EFFE9041-7166-4B9A-9B0C-6C731E18EAB5

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