About: [(1R,2R,3aS,5R,6E,10S,11R,13S,13aS)-10,11,13-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate

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About: [(1R,2R,3aS,5R,6E,10S,11R,13S,13aS)-10,11,13-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate 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	[(1R,2R,3aS,5R,6E,10S,11R,13S,13aS)-10,11,13-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate (en)
skos:prefLabel	[(1R,2R,3aS,5R,6E,10S,11R,13S,13aS)-10,11,13-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate (en)
name	[(1R,2R,3aS,5R,6E,10S,11R,13S,13aS)-10,11,13-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate (en)
isomeric SMILES	wds:Q105306259-2401140A-BED1-4CC6-B07D-14C0D17C45F8
isomeric SMILES	C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]2(O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
instance of	wds:Q105306259-14C5DB08-2515-411E-9164-E088D141AE86
instance of	type of chemical entity
subclass of	wds:Q105306259-EEF95141-4720-4798-87DB-F36987211A8B
subclass of	(10,11,13-Triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl) benzoate
found in taxon	wds:Q105306259-3CCAAE4E-4648-4C17-96FA-4ACF5136F203
found in taxon	Euphorbia mongolica
canonical SMILES	wds:Q105306259-F664EC8E-4F30-4EFC-B10E-8794A378CDE8
InChI	wds:Q105306259-313786EB-D2BE-46C2-B9CE-B4872305A840
InChIKey	wds:Q105306259-D3C3FC97-5D99-4F53-B1F1-1C94F45C378D
chemical formula	wds:Q105306259-6B1A6F51-9AAA-4BA4-A151-52E47C99FBA8
PubChem CID	wds:Q105306259-4D819389-85F2-4E86-BB04-C259991A6FAB
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163195571
canonical SMILES	O=C(OC1C(C)CC2(O)C(=O)C(C=CC(C(=O)C(OC(=O)C)C(OC(=O)C)C(=C)C(OC(=O)C)C12)(C)C)C)C=3C=CC=CC3
InChI	InChI=1S/C33H40O11/c1-17-14-15-32(7,8)30(38)28(43-22(6)36)27(42-21(5)35)19(3)26(41-20(4)34)24-25(18(2)16-33(24,40)29(17)37)44-31(39)23-12-10-9-11-13-23/h9-15,17-18,24-28,40H,3,16H2,1-2,4-8H3/b15-14+/t17-,18-,24+,25-,26-,27-,28+,33+/m1/s1
InChIKey	WIIHXTZBFPAMCQ-GYKNTHHOSA-N
chemical formula	C₃₃H₄₀O₁₁
PubChem CID	163195571
mass	wds:Q105306259-551E8812-3427-459D-A6ED-5D82A43A6893
mass	612.2570621 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105306259
is main subject of	Jatrophane Diterpenoids fromEuphorbiamongolicaas Modulators of the Multidrug Resistance of L5128 Mouse Lymphoma Cells
is main subject of	wds:Q62075595-AC782D75-5F76-4675-8FDF-D8E586A0DBCF

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