Vitas-M small molecule compound
(8xi,9xi,14xi)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl 3-phenylpropanoate
Catalog ID
STL525044
SMILES O=C(OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C)C)CCc1ccccc1
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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 C33H42O5 MW 518.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42O5/c1-21-19-26-27(14-17-32(5)28(26)15-18-33(32,22(2)34)38-23(3)35)31(4)16-13-25(20-29(21)31)37-30(36)12-11-24-9-7-6-8-10-24/h6-10,19-20,25-28H,11-18H2,1-5H3/t25?,26?,27?,28?,31-,32+,33+/m1/s1InChIKey
VRIWPQLSSZLFSJ-FTHHFQLMSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl17acetyloxy61013trimethyl123891112141516decahydrocyclopenta(a)phenanthren3yl)3phenylpropanoate
(10R13S17R)17acetoxy17acetyl61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3yl3phenylpropanoate
(8xi9xi14xi)17(acetyloxy)6methyl20oxopregna46dien3yl3phenylpropanoate
16395532
InChI=1SC33H42O5c121192627(141732(5)28(26)151833(3222(2)34)3823(3)35)31(4)161325(2029(21)31)3730(36)12112497681024h61019202528H1118H215H3t25?26?27?28?3132+33+m1s1
MFCD01545334
O=C(OC1CC(C@)2(C(=C1)C(=CC1C2CC(C@)2(C1CC(C@)2(OC(=O)C)C(=O)C)C)C)C)CCc1ccccc1
ZINC000012655037
ZINC000253500073
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