About: methyl (1S,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

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About: methyl (1S,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₄

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₄ (en) група стереоізомерів з хімічною формулою C₂₂H₂₈N₂O₄ (uk)
rdfs:label	methyl (1S,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate (en)
skos:prefLabel	methyl (1S,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate (en)
name	methyl (1S,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate (en)
isomeric SMILES	wds:Q105203420-5911C84E-E5D7-4AE1-9B43-4786BE2F85D4
isomeric SMILES	COC(=O)[C@@]12CC3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3
instance of	wds:Q105203420-379035C1-B4E1-41AD-8393-3EE93A8A36C6
instance of	group of stereoisomers
subclass of	wds:Q105203420-E0D99987-7A7C-4AEB-B70E-8F3DF3E6CD2F
subclass of	iboga alkaloid
canonical SMILES	wds:Q105203420-3981A07D-96EC-4643-89EC-D4C56548F44E
InChI	wds:Q105203420-ED711843-90B0-4EE8-AC10-683DE072D963
InChIKey	wds:Q105203420-44DF9A81-2A23-4044-8397-3E5D3E7DF976
chemical formula	wds:Q105203420-EE607BCE-FC28-4AF2-817D-A981FDA99D2A
PubChem CID	wds:Q105203420-3CBE744C-3623-416B-A66F-3F3732E865E1
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163187265
canonical SMILES	O=C(OC)C12C=3NC=4C=CC(OC)=CC4C3CCN5CC(CC(C(O)C)C51)C2
InChI	InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13?,16+,20-,22+/m0/s1
InChIKey	OYMQKBZMKFJPMH-YJFKPHOQSA-N
chemical formula	C₂₂H₂₈N₂O₄
PubChem CID	163187265
mass	wds:Q105203420-BE2BEFAD-777B-45DB-907B-4E2FBF4FBEC8
mass	384.204907376 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105203420
is subclass of of	Voacristine 19(R)-Heyneanine 19(S)-Heyneanine
is subclass of of	wds:Q104252751-79F765E0-1B5E-49E5-B18C-B2BCEFC156BF wds:Q105203419-7177259E-E378-4FA1-A151-4EC97E814D97 wds:Q104403303-444934CF-F0A7-4DFA-A5F2-F1A025CC8EDD

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