Vitas-M small molecule compound

(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl heptanoate

Catalog ID
STL525138
SMILES CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[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 C28H40O6 MW 472.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h11,13,15,20-22,25,30,33H,4-10,12,14,16-17H2,1-3H3/t20?,21?,22?,25?,26-,27-,28-/m0/s1
InChIKey
NKPJKKKVDRKVPY-KESVXNLESA-N
Synonyms

(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)heptanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21ylheptanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylheptanoate
75366876
CCCCCCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C
InChI=1SC28H40O6c14567824(32)341723(31)28(33)14122120109181519(29)111326(182)25(20)22(30)1627(2128)3h1113152022253033H41012141617H213H3t20?21?22?25?262728m0s1
MFCD01544093
ZINC000253533811
ZINC000253533821

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Available files

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