Vitas-M small molecule compound
(8xi,9xi,11beta,14xi,16alpha)-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
Catalog ID
STL564691
SMILES OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C22H32O5 MW 376.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h9,12,15-17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,15?,16?,17+,19?,20+,21+,22+/m1/s1InChIKey
ZCAYUOKEIPMTMF-VMARTWEDSA-NSynonyms
(10R11S13S16R17R)1117dihydroxy17(2hydroxyacetyl)101316trimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3one
(8S9S10R11S13S14S16R17R)1117dihydroxy17(2hydroxyacetyl)101316trimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi11beta14xi16alpha)111721trihydroxy16methylpregn4ene320dione
145705533
InChI=1SC22H32O5c112816155413914(24)6720(132)19(15)17(25)1021(163)22(1227)18(26)1123h912151719232527H481011H213H3t1215?16?17+19?20+21+22+m1s1
OCC(=O)(C@@)1(O)(C@H)(C)C(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000097492625
ZINC001848443766
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