Vitas-M small molecule compound
(3E,8xi)-3-(hydroxyimino)carda-14,16,20(22)-trienolide
Catalog ID
STL536768
SMILES O/N=C/1\CC[C@]2(C(C1)CCC1[C@@H]2CC[C@]2(C1=CC=C2C1=CC(=O)OC1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H29NO3 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3/c1-22-9-7-16(24-26)12-15(22)3-4-17-19-6-5-18(14-11-21(25)27-13-14)23(19,2)10-8-20(17)22/h5-6,11,15,17,20,26H,3-4,7-10,12-13H2,1-2H3/b24-16+/t15?,17?,20-,22-,23+/m0/s1InChIKey
WSWBLRYWYTUKKN-NYCLAALSSA-NSynonyms
(3E8xi)3(hydroxyimino)carda141620(22)trienolide
16399628
3((3~(E)9~(S)10~(S)13~(S))3hydroxyimino1013dimethyl124567891112decahydrocyclopenta(a)phenanthren17yl)2~(H)furan5one
4((9S10S13S)3(hydroxyimino)1013dimethyl2345678910111213dodecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC23H29NO3c1229716(2426)1215(22)3417196518(141121(25)271314)23(192)10820(17)22h561115172026H347101213H212H3b2416+t15?17?202223+m0s1
MFCD04144741
ON=C1CC(C@)2(C(C1)CCC1(C@@H)2CC(C@)2(C1=CC=C2C1=CC(=O)OC1)C)C
ZINC000012859258
ZINC000257372753
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