Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-3,17-dihydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate
Catalog ID
STL525370
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(O)C(=O)COC(=O)C)C)C)C1)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 C24H36O5 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h5,14,17-20,26,28H,6-13H2,1-4H3/t14-,17?,18?,19?,20?,22+,23+,24+/m1/s1InChIKey
UREXXQAEJYMHKC-ORALUTQESA-NSynonyms
(2((10~(R)13~(S)16~(R)17~(R))317dihydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi16alpha)317dihydroxy16methyl20oxopregn5en21ylacetate
135639050
2((3S8R10R13S16R17R)317dihydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
InChI=1SC24H36O5c11411201865161217(26)7922(163)19(18)81023(204)24(1428)21(27)132915(2)25h51417202628H613H214H3t1417?18?19?20?22+23+24+m1s1
MFCD01547661
O(C@H)1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@H)((C@)2(O)C(=O)COC(=O)C)C)C)C1)C
ZINC000004073869
ZINC001772491678
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