Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi,16alpha)-16-bromo-17-hydroxy-20-oxopregnan-3-yl acetate
Catalog ID
STK366330
SMILES CC(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1C[C@H]([C@]2(O)C(=O)C)Br)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 C23H35BrO4 MW 455.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35BrO4/c1-13(25)23(27)20(24)12-19-17-6-5-15-11-16(28-14(2)26)7-9-21(15,3)18(17)8-10-22(19,23)4/h15-20,27H,5-12H2,1-4H3/t15?,16?,17?,18?,19?,20-,21?,22?,23-/m1/s1InChIKey
GEVAMMLEIGNEOT-DQVTYCMASA-NSynonyms
((16R17R)17acetyl16bromo17hydroxy1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3R5S8R9S10S13S14S16R17R)17acetyl16bromo17hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi10xi13xi14xi16alpha)16bromo17hydroxy20oxopregnan3ylacetate
CC(=O)C1(C(CC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)Br)O
CC(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@H)((C@)2(O)C(=O)C)Br)C)C
CC(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1C(C@H)((C@)2(O)C(=O)C)Br)C)C
InChI=1SC23H35BrO4c113(25)23(27)20(24)12191765151116(2814(2)26)7921(153)18(17)81022(1923)4h152027H512H214H3t15?16?17?18?19?2021?22?23m1s1
MFCD02602452
ZINC000253498087
ZINC000253498090
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