Vitas-M small molecule compound
(3alpha,8xi,9xi,14xi)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl butanoate
Catalog ID
STL546767
SMILES CCCC(=O)O[C@@H]1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)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 C28H40O5 MW 456.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40O5/c1-7-8-25(31)32-20-9-12-26(5)22-10-13-27(6)23(21(22)15-17(2)24(26)16-20)11-14-28(27,18(3)29)33-19(4)30/h15-16,20-23H,7-14H2,1-6H3/t20-,21?,22?,23?,26-,27+,28+/m1/s1InChIKey
VWKIFEBMJRFARL-NYPGRIDASA-NSynonyms
((3~(R)10~(R)13~(S)17~(R))17acetyl17acetyloxy61013trimethyl123891112141516decahydrocyclopenta(a)phenanthren3yl)butanoate
(3alpha8xi9xi14xi)17(acetyloxy)6methyl20oxopregna46dien3ylbutanoate
(3R8R9S10R13S14S17R)17acetoxy17acetyl61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3ylbutyrate
135639750
CCCC(=O)O(C@@H)1CC(C@)2(C(=C1)C(=C(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(OC(=O)C)C(=O)C)C)C)C
InChI=1SC28H40O5c17825(31)322091226(5)22101327(6)23(21(22)1517(2)24(26)1620)111428(2718(3)29)3319(4)30h15162023H714H216H3t2021?22?23?2627+28+m1s1
MFCD01544219
ZINC001772492782
ZINC001772492785
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