Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl 4-methylpentanoate
Catalog ID
STL526299
SMILES CC(CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=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 C27H42O3 MW 414.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O3/c1-17(2)6-11-25(29)30-20-12-14-26(4)19(16-20)7-8-21-23-10-9-22(18(3)28)27(23,5)15-13-24(21)26/h9,17,19-21,23-24H,6-8,10-16H2,1-5H3/t19-,20?,21?,23?,24?,26-,27+/m0/s1InChIKey
YDDVOKKQEBUWJE-ZGWLWCTQSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)4methylpentanoate
(3R5S8R10S13S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3yl4methylpentanoate
(5alpha8xi9xi14xi)20oxopregn16en3yl4methylpentanoate
135639154
CC(CCC(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1C2CC(C@)2(C1CC=C2C(=O)C)C)C)C
InChI=1SC27H42O3c117(2)61125(29)3020121426(4)19(1620)78212310922(18(3)28)27(235)151324(21)26h91719212324H681016H215H3t1920?21?23?24?2627+m0s1
MFCD02925057
ZINC000002159314
ZINC000004081529
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