Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate
Catalog ID
STL524868
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C39H64O5 MW 612.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H64O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(42)44-29-35(41)39(43)27-24-34-32-21-20-30-28-31(40)22-25-37(30,2)33(32)23-26-38(34,39)3/h28,32-34,43H,4-27,29H2,1-3H3/t32?,33?,34?,37-,38-,39-/m0/s1InChIKey
IOMFTBLAJCYZSH-OGAJMULISA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)octadecanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yloctadecanoate
135638987
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylstearate
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC39H64O5c14567891011121314151617181936(42)442935(41)39(43)272434322120302831(40)222537(302)33(32)232638(3439)3h28323443H42729H213H3t32?33?34?373839m0s1
MFCD01881204
ZINC000252441150
ZINC001772491758
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