22-Iso-ecdysone

chemical compound

Wikidata entity: Q105276750

C₂₇H₄₄O₆ (P274)



Quantities

P2067mass464.313789128

P233 canonical SMILES String O=C1C=C2C(CCC3(C)C(CCC23O)C(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14 ???
P703 found in taxon ... Q17238408 (Silene praemixta) Silene praemixta
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@H]([C@@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ???
P3364 stereoisomer of ... Q139085 (ecdysone) ecdysone
P3364 stereoisomer of ... Q27149575 (3-Epiecdysone) 3-Epiecdysone
P3364 stereoisomer of ... Q105276749 ((2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2R,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one) (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2R,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
P279 subclass of ... Q105276757 (2,3,14,22,25-Pentahydroxycholest-7-en-6-one) 2,3,14,22,25-Pentahydroxycholest-7-en-6-one

External Ids
P231CAS Registry Number7703-83-5
P683ChEBI ID183026
P3117DSSTox substance IDDTXSID201316973
P234InChIInChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20-,22+,23-,25+,26+,27+/m0/s1
P235InChIKeyUPEZCKBFRMILAV-IOOUKINDSA-N
P2063LIPID MAPS IDLMST01010361
P662PubChem CID56940692
P2877SureChEMBL ID26642138
P11089UniChem compound ID27141201

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