Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl propanoate
Catalog ID
STL525821
SMILES CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C24H34O5 MW 402.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34O5/c1-4-21(27)29-14-20(26)24(28)12-9-19-17-6-5-15-13-16(25)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,28H,4-12,14H2,1-3H3/t17?,18?,19?,22-,23-,24-/m0/s1InChIKey
WREGFCMXQZDLER-UMYBXSPQSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)propanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21ylpropanoate
135639094
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylpropionate
CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC24H34O5c1421(27)291420(26)24(28)129191765151316(25)71022(152)18(17)81123(1924)3h13171928H41214H213H3t17?18?19?222324m0s1
MFCD01547952
ZINC000005428237
ZINC001772491992
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