About: [(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate

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About: [(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₂₄H₃₃NO₄

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) група стереоізомерів з хімічною формулою C₂₄H₃₃NO₄ (uk) group of stereoisomers with the chemical formula C₂₄H₃₃NO₄ (en)
rdfs:label	[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate (en)
skos:prefLabel	[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate (en)
name	[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate (en)
isomeric SMILES	wds:Q104403397-1F59C149-B488-475D-AE8C-B2FB1DFB2A44
isomeric SMILES	C=C1[C@H]2CC[C@]3([C@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CCC[C@@]4(C(O1)N1CCO[C@@H]15)[C@@H]3C2
instance of	wds:Q104403397-67A77317-FA04-4995-8296-AE3C41363600
instance of	group of stereoisomers
subclass of	wds:Q104403397-51E8B932-B753-4BD9-8457-9093F4A1F904 wds:Q104403397-C25DD579-52B0-4CB0-B934-C2D2B39B9EF4
subclass of	atidane / atisine / hetisan type alkaloid atisane diterpenoid
found in taxon	wds:Q104403397-69E6EC6A-E0F2-4D2F-9D1F-216A6469C78F
found in taxon	Kerria japonica
UniChem compound ID	wds:Q104403397-2BC92A43-7929-463B-AF0A-93DE19AA6558
canonical SMILES	wds:Q104403397-658316AA-92F1-42DA-857C-47344FBA66B5
InChI	wds:Q104403397-58661D88-9256-47E3-A87A-0D359AA1D875
InChIKey	wds:Q104403397-327470D9-6AA8-4E0B-B229-22059C3CB592
chemical formula	wds:Q104403397-5066EA05-5081-4DF5-8D97-4D736BEA9B09
PubChem CID	wds:Q104403397-41EC24D6-3B9A-4A47-AD12-E4E82B1BFC81
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101915973
UniChem compound ID	97763851
canonical SMILES	O=C(OC1C(=C)C2CCC13C4OC5N6CCOC6C7(C)CCCC5(C7C4)C3C2)C
InChI	InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21?,22+,23-,24+/m0/s1
InChIKey	ZPELMDXCJZDIBP-FOZPVUNSSA-N
chemical formula	C₂₄H₃₃NO₄
PubChem CID	101915973
mass	wds:Q104403397-33146066-9ED1-4DE0-BF8E-BAA480487524
mass	399.240958536 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104403397
is subclass of of	Spiramine A
is subclass of of	wds:Q27108327-B6198805-AB66-4912-9FFB-7121E0630B21
is main subject of	Diterpene alkaloids from roots of Spiraea japonica The structures of four new diterpene alkaloids, spiramines A, B, C, and D.
is main subject of	wds:Q105227123-CDF20FB6-2E5E-4466-823B-DDF66EC84D27 wds:Q104403395-C7E8926E-0041-4336-A1E2-81D524FE9714

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