Vitas-M small molecule compound
(8xi,9xi,14xi)-20-oxopregna-5,16-diene-3,21-diyl diacetate
Catalog ID
STL525429
SMILES CC(=O)OCC(=O)C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)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 C25H34O5 MW 414.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,8,18-21H,6-7,9-14H2,1-4H3/t18?,19?,20?,21?,24-,25-/m0/s1InChIKey
UGTGGLOTLSAFLH-WFLJIZOKSA-NSynonyms
(2((10~(R)13~(S))3acetyloxy1013dimethyl23478911121415decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi)20oxopregna516diene321diyldiacetate
16395562
2((10R13S)3acetoxy1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)C1=CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)C
InChI=1SC25H34O5c115(26)291423(28)2287201965171318(3016(2)27)91124(173)21(19)101225(2022)4h581821H67914H214H3t18?19?20?21?2425m0s1
MFCD01545478
ZINC000012655170
ZINC000253500034
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