Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-16-methyl-20-oxopregnane-3,17,21-triyl triacetate
Catalog ID
STL524875
SMILES CC(=O)OCC(=O)[C@@]1(OC(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[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 C28H42O7 MW 490.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42O7/c1-16-13-24-22-8-7-20-14-21(34-18(3)30)9-11-26(20,5)23(22)10-12-27(24,6)28(16,35-19(4)31)25(32)15-33-17(2)29/h16,20-24H,7-15H2,1-6H3/t16-,20+,21?,22?,23?,24?,26+,27+,28+/m1/s1InChIKey
AQOASHLQGOCDTP-NLVMNCEYSA-NSynonyms
(2((5~(S)10~(S)13~(S)16~(R)17~(R))317diacetyloxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(3R5S8R9S10S13S14S16R17R)17(2acetoxyacetyl)101316trimethylhexadecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate
(5alpha8xi9xi14xi16alpha)16methyl20oxopregnane31721triyltriacetate
135638990
CC(=O)OCC(=O)(C@@)1(OC(=O)C)(C@H)(C)C(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@H)(C2)OC(=O)C
InChI=1SC28H42O7c11613242287201421(3418(3)30)91126(205)23(22)101227(246)28(163519(4)31)25(32)153317(2)29h162024H715H216H3t1620+21?22?23?24?26+27+28+m1s1
MFCD01547830
ZINC001772491726
ZINC001772491729
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