About: 3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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About: 3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

group of stereoisomers with the chemical formula C₂₉H₄₂O₈

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₂₉H₄₂O₈ (en) група стереоізомерів з хімічною формулою C₂₉H₄₂O₈ (uk)
rdfs:label	3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (en)
skos:prefLabel	3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (en)
name	3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (en)
isomeric SMILES	wds:Q105235478-AF1C3B44-68FB-4D10-AB9F-32A5518B585D
isomeric SMILES	C[C@]12CC[C@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)C[C@@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12
instance of	wds:Q105235478-09B70369-05CC-414C-ABF0-8847D40BA6CB
instance of	group of stereoisomers
subclass of	wds:Q105235478-77B7C8F7-325A-4FEB-9A64-ADB68053F8DF
subclass of	cardanolides
found in taxon	wds:Q105235478-7E5E66DC-342C-4219-99CB-723D9A7F09E1
found in taxon	Calotropis procera
canonical SMILES	wds:Q105235478-6F4173AF-00B2-47DE-ADDA-859AEAFE46EE
InChI	wds:Q105235478-BEE12481-E560-40B8-8BDD-87F1DFA15A64
InChIKey	wds:Q105235478-647EEDC2-84DC-4497-BEF1-C28E303EBE52
chemical formula	wds:Q105235478-9D759C8D-2908-47FE-9FF4-DCABEEE322CF
PubChem CID	wds:Q105235478-3AB87242-9D5F-4E91-9E7B-87905A872286
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163022902
canonical SMILES	O=C1OCC(=C1)C2CC=C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C
InChI	InChI=1S/C29H42O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h6,11,16-19,21-22,24-27,30,32-34H,3-5,7-10,12-14H2,1-2H3/t16-,17-,18-,19+,21-,22?,24+,25?,26-,27+,28-,29+/m0/s1
InChIKey	RFLSSMTUPPBUHS-BBTSLSMFSA-N
chemical formula	C₂₉H₄₂O₈
PubChem CID	163022902
mass	wds:Q105235478-9E0BA7DD-DBE2-421F-861F-8F32F312992E
mass	518.287968304 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105235478
is main subject of	Secondary metabolites from Calotropis procera (Aiton)
is main subject of	wds:Q104915013-E45AA0DE-3218-4596-BAEA-FCD06DA6D23D

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