About: (3S)-5-[[(1R,3aS,4R,5Z,9S,12aR)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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About: (3S)-5-[[(1R,3aS,4R,5Z,9S,12aR)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 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) cheemsch Verbinnen (nds)
rdfs:label	(3S)-5-[[(1R,3aS,4R,5Z,9S,12aR)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid (en)
skos:prefLabel	(3S)-5-[[(1R,3aS,4R,5Z,9S,12aR)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid (en)
name	(3S)-5-[[(1R,3aS,4R,5Z,9S,12aR)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid (en)
isomeric SMILES	wds:Q105165980-142B5375-51AF-4C47-8A76-5F6F95DCFA07
stereoisomer of	wds:Q105165980-DE2FC2DB-CF93-437B-BB7C-9198972B6F87
isomeric SMILES	C=C1CC[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)[C@H](OC(C)=O)/C=C(\COC(=O)C[C@@](C)(O)CC(=O)O)CC[C@@H]1O
stereoisomer of	(3S)-5-[[(1R,3aS,4S,5Z,9R,12aS)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
instance of	wds:Q105165980-4337B7AF-2B60-47AE-B6FC-E6EE2672AEE5
instance of	type of chemical entity
subclass of	wds:Q105165980-4BD3B8A1-25CB-45D7-8068-579720E63C96
subclass of	5-[[4-Acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
found in taxon	wds:Q105165980-40F07B11-B4E9-49B5-8844-F2797CFD9BF8 wds:Q105165980-A17DFE88-5CD5-457E-808B-FA8F8039A3C8
found in taxon	Chrozophora obliqua Chrozophora plicata
canonical SMILES	wds:Q105165980-6C798C54-9D39-4F4F-A30A-D512E64C69DC
InChI	wds:Q105165980-2872BBBF-A578-46B7-A555-8BCF8A5E162C
InChIKey	wds:Q105165980-C7908D14-60AE-44C9-BE3C-34108A9A571D
chemical formula	wds:Q105165980-733ABEFF-01B8-4D01-9AA8-6FC8AEF6737C
PubChem CID	wds:Q105165980-5300EC1C-B7EE-4CF7-8B06-0B46DA64F12B
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163031412
canonical SMILES	O=C(O)CC(O)(C)CC(=O)OCC1=CC(OC(=O)C)C2(C)CCC(C2CCC(=C)C(O)CC1)C(O)(C)C
InChI	InChI=1S/C28H44O9/c1-17-7-9-21-20(26(3,4)34)11-12-28(21,6)23(37-18(2)29)13-19(8-10-22(17)30)16-36-25(33)15-27(5,35)14-24(31)32/h13,20-23,30,34-35H,1,7-12,14-16H2,2-6H3,(H,31,32)/b19-13-/t20-,21-,22+,23-,27+,28+/m1/s1
InChIKey	MKGUELHKGOBNJC-OGIAISHBSA-N
chemical formula	C₂₈H₄₄O₉
PubChem CID	163031412
mass	wds:Q105165980-7CA0279B-33BC-42B5-B671-2AC7F4AD9CC6
mass	524.298532988 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105165980
is stereoisomer of of	(3S)-5-[[(1R,3aS,4S,5Z,9R,12aS)-4-acetyloxy-9-hydroxy-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
is stereoisomer of of	wds:Q105165978-28A0A17F-26B7-4232-81C9-248F6D690302
is main subject of	3-hydroxy-3-methylglutaryl dolabellane diterpenes from Chrozophora obliqua
is main subject of	wds:Q104918238-5999997D-F2D0-4122-B3D2-511A499F0228

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