Vitas-M small molecule compound

(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl phosphate

Catalog ID
STL581360
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])C)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 C21H29O7P MW 424.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31O7P/c1-19-8-5-14(22)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18(23)12-28-29(25,26)27/h11,15-17,24H,3-10,12H2,1-2H3,(H2,25,26,27)/p-2/t15?,16?,17?,19-,20-,21-/m0/s1
InChIKey
NVDJORDAHOURAX-RCSFYLKVSA-L
Synonyms

(8xi9xi14xi)17hydroxy320dioxopregn4en21ylphosphate
InChI=1SC21H31O7Pc1198514(22)1113(19)341516(19)6920(2)17(15)71021(2024)18(23)122829(2526)27h11151724H31012H212H3(H2252627)p2t15?16?17?192021m0s1
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)COP(=O)((O))(O))C)C(Na+)(Na+)
sodium2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylphosphate

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Available files

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