Vitas-M small molecule compound
(8xi,9xi,14xi)-3-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-17-yl hexanoate
Catalog ID
STL525397
SMILES CCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2C=C(C2=CC(CC[C@]12C)OC(=O)C)C)C(=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 C30H44O5 MW 484.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44O5/c1-7-8-9-10-27(33)35-30(20(3)31)16-13-25-23-17-19(2)26-18-22(34-21(4)32)11-14-28(26,5)24(23)12-15-29(25,30)6/h17-18,22-25H,7-16H2,1-6H3/t22?,23?,24?,25?,28-,29+,30+/m1/s1InChIKey
ZPYPZEQRDUNLER-ZLKMCFEPSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl3acetyloxy61013trimethyl123891112141516decahydrocyclopenta(a)phenanthren17yl)hexanoate
(10R13S17R)3acetoxy17acetyl61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren17ylhexanoate
(8xi9xi14xi)3(acetyloxy)6methyl20oxopregna46dien17ylhexanoate
16395229
CCCCCC(=O)O(C@@)1(CCC2(C@)1(C)CCC1C2C=C(C2=CC(CC(C@)12C)OC(=O)C)C)C(=O)C
InChI=1SC30H44O5c17891027(33)3530(20(3)31)161325231719(2)261822(3421(4)32)111428(265)24(23)121529(2530)6h17182225H716H216H3t22?23?24?25?2829+30+m1s1
MFCD01544167
ZINC000012653535
ZINC000253500212
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