About: (1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

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About: (1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione 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	(1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione (en)
skos:prefLabel	(1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione (en)
name	(1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione (en)
isomeric SMILES	wds:Q105198807-8D9B1479-CA8D-4133-98E1-FF3C6413DE9F
stereoisomer of	wds:Q105198807-3A23DFA1-1C90-403C-B3D5-AC4644535C8E wds:Q105198807-82571043-4F84-40B8-BA62-7507F3EACA30
isomeric SMILES	C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(C)=O)C[C@@]2(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(C)=O
stereoisomer of	[(1R,2R,3aR,5S,6E,10S,11S,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate (1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione
instance of	wds:Q105198807-5912882A-E463-41C3-84A1-5F89CA7DFAE2
instance of	type of chemical entity
subclass of	wds:Q105198807-A9B4F7EE-0156-4E47-97A9-3C6E573877C3
subclass of	(1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl) 2-methylpropanoate
found in taxon	wds:Q105198807-2B4AD113-3401-4234-9803-EA527C428A18 wds:Q105198807-6669BE12-AEFF-42C7-B96A-DC12EC842F11
found in taxon	Euphorbia paralias Euphorbia semiperfoliata
UniChem compound ID	wds:Q105198807-1AE5E694-19F4-4A3B-B3B0-83972D2CCCB3
canonical SMILES	wds:Q105198807-BBDA895A-B849-42C7-A0A0-546A8D5FED28
InChI	wds:Q105198807-E53AFA0C-D42A-4FFD-97AF-58A673E242F4
InChIKey	wds:Q105198807-214E17A9-6EF6-43B0-B53B-C91DAC7FDA15
chemical formula	wds:Q105198807-10322E05-0D3E-4136-BC43-21B523007E38
PubChem CID	wds:Q105198807-AA2694B4-682F-4243-A140-6A9E7198ACBF
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID102316426
UniChem compound ID	97504071
canonical SMILES	O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)(C)CC2(OC(=O)C)C(=O)C(C=CC(C(=O)C1OC(=O)C(C)C)(C)C)C)C
InChI	InChI=1S/C34H46O14/c1-16(2)31(42)46-27-26(44-20(6)36)18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(27)41/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13+/t17-,24+,25+,26+,27-,30-,33-,34-/m0/s1
InChIKey	OSDVNRJELRKKGM-JTRBJKQNSA-N
chemical formula	C₃₄H₄₆O₁₄
PubChem CID	102316426
mass	wds:Q105198807-C9213A99-D05B-465C-AAF9-5CA735D308DA
mass	678.288756152 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105198807
is stereoisomer of of	[(1R,2R,3aR,5S,6E,10S,11S,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate (1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione
is stereoisomer of of	wds:Q105198809-D867704B-A2E7-4B10-91CD-659C798E8F49 wds:Q105198808-405357AE-566C-4BA2-8952-20ADCDD99F05
is main subject of	Diterpenes from Euphorbia paralias Macrocyclic Diterpenoids fromEuphorbiasemiperfoliata
is main subject of	wds:Q57013439-EE41199F-8288-4EAB-95C7-7E5702B0354E wds:Q60684472-20D02EAE-4C70-4A6B-BAB1-972082A2BABE

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