Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-16,17-dihydroxy-20-oxopregn-5-ene-3,21-diyl diacetate
Catalog ID
STL525695
SMILES CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[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 C25H36O7 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36O7/c1-14(26)31-13-22(29)25(30)21(28)12-20-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)19(18)8-10-24(20,25)4/h5,17-21,28,30H,6-13H2,1-4H3/t17?,18?,19?,20?,21-,23+,24+,25+/m1/s1InChIKey
OTLJDTMBQKLRPK-DYSUIHKKSA-NSynonyms
(2((10~(R)13~(S)16~(R)17~(S))3acetyloxy1617dihydroxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi16alpha)1617dihydroxy20oxopregn5ene321diyldiacetate
16396373
2((10R13S16R17S)3acetoxy1617dihydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)(C@H)(O)CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)C
InChI=1SC25H36O7c114(26)311322(29)25(30)21(28)12201865161117(3215(2)27)7923(163)19(18)81024(2025)4h517212830H613H214H3t17?18?19?20?2123+24+25+m1s1
MFCD01844915
ZINC000012658148
ZINC000253499815
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