Vitas-M small molecule compound
methyl (3alpha)-12-oxo-3-[(phenylcarbonyl)oxy]cholan-24-oate
Catalog ID
STK763864
SMILES COC(=O)CCC(C1CCC2C1(C)C(=O)CC1C2CCC2C1(C)CC[C@H](C2)OC(=O)c1ccccc1)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 C32H44O5 MW 508.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-27H,10-19H2,1-4H3/t20?,22?,23-,24?,25?,26?,27?,31?,32?/m1/s1InChIKey
IHSLYRNKWRVRNA-AJVFOKMFSA-NSynonyms
((3R)17(5methoxy5oxopentan2yl)1013dimethyl12oxo1234567891114151617tetradecahydrocyclopenta(a)phenanthren3yl)benzoate
(3R5R8R9S10S13R14S17R)17((R)5methoxy5oxopentan2yl)1013dimethyl12oxohexadecahydro1Hcyclopenta(a)phenanthren3ylbenzoate
CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
COC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)C(=O)C(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@H)(C2)OC(=O)c1ccccc1)C
COC(=O)CCC(C1CCC2C1(C)C(=O)CC1C2CCC2C1(C)CC(C@H)(C2)OC(=O)c1ccccc1)C
InChI=1SC32H44O5c120(101529(34)364)25131426241211221823(3730(35)218657921)161731(222)27(24)1928(33)32(2526)3h59202227H1019H214H3t20?22?2324?25?26?27?31?32?m1s1
methyl(3alpha)12oxo3((phenylcarbonyl)oxy)cholan24oate
MFCD02647617
ZINC000026570874
ZINC000253507418
Check stock
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Check stock on Vitas-MAvailable files
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