Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregnane-3,21-diyl diacetate
Catalog ID
STL525317
SMILES CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=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 C26H40O6 MW 448.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40O6/c1-15-12-22-20-7-6-18-13-19(32-17(3)28)8-10-24(18,4)21(20)9-11-25(22,5)26(15,30)23(29)14-31-16(2)27/h15,18-22,30H,6-14H2,1-5H3/t15-,18+,19?,20?,21?,22?,24+,25+,26+/m1/s1InChIKey
YOIYNKDARMAMBK-NHEFIFRLSA-NSynonyms
(2((5~(S)10~(S)13~(S)16~(R)17~(R))3acetyloxy17hydroxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(5alpha8xi9xi14xi16alpha)17hydroxy16methyl20oxopregnane321diyldiacetate
132286524
2((3R5S8R9S10S13S14S16R17R)3acetoxy17hydroxy101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)(C@H)(C)C(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@H)(C2)OC(=O)C
InChI=1SC26H40O6c11512222076181319(3217(3)28)81024(184)21(20)91125(225)26(1530)23(29)143116(2)27h15182230H614H215H3t1518+19?20?21?22?24+25+26+m1s1
MFCD01543383
ZINC000888090877
ZINC000888090880
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