Vitas-M small molecule compound
(8xi,9xi,14xi)-20-oxopregna-3,5-diene-3,17,21-triyl triacetate
Catalog ID
STL524679
SMILES CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(=C2)OC(=O)C)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 C27H36O7 MW 472.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O7/c1-16(28)32-15-24(31)27(34-18(3)30)13-10-23-21-7-6-19-14-20(33-17(2)29)8-11-25(19,4)22(21)9-12-26(23,27)5/h6,14,21-23H,7-13,15H2,1-5H3/t21?,22?,23?,25-,26-,27-/m0/s1InChIKey
ZRZMJLCBJYFXJX-JKPPDDDBSA-NSynonyms
(10R13S17R)17(2acetoxyacetyl)1013dimethyl27891011121314151617dodecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate
(2((10~(R)13~(S)17~(R))317diacetyloxy1013dimethyl127891112141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi)20oxopregna35diene31721triyltriacetate
16396145
CC(=O)OCC(=O)(C@)1(CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(=C2)OC(=O)C)OC(=O)C
InChI=1SC27H36O7c116(28)321524(31)27(3418(3)30)1310232176191420(3317(2)29)81125(194)22(21)91226(2327)5h6142123H71315H215H3t21?22?23?252627m0s1
MFCD00732450
ZINC000012657607
ZINC000253500216
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