Vitas-M small molecule compound

methyl (8xi,9xi,14xi)-17,21-bis(acetyloxy)-3,20-dioxopregna-1,4-diene-11-carboxylate

Catalog ID
STL525899
SMILES COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=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 C27H34O8 MW 486.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34O8/c1-15(28)34-14-22(31)27(35-16(2)29)11-9-21-19-7-6-17-12-18(30)8-10-25(17,3)23(19)20(24(32)33-5)13-26(21,27)4/h8,10,12,19-21,23H,6-7,9,11,13-14H2,1-5H3/t19?,20?,21?,23?,25-,26-,27-/m0/s1
InChIKey
PLXIRGXEHLMZNZ-KBKARFJSSA-N
Synonyms

(8S9R10R11S13S14S17R)methyl17acetoxy17(2acetoxyacetyl)1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene11carboxylate
75366886
COC(=O)(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)C=CC(=O)C=C1CC3)CC(C@)2(OC(=O)C)C(=O)COC(=O)C
InChI=1SC27H34O8c115(28)341422(31)27(3516(2)29)119211976171218(30)81025(173)23(19)20(24(32)335)1326(2127)4h81012192123H679111314H215H3t19?20?21?23?252627m0s1
methyl(10~(R)13~(S)17~(R))17acetyloxy17(2acetyloxyacetyl)1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthrene11carboxylate
methyl(8xi9xi14xi)1721bis(acetyloxy)320dioxopregna14diene11carboxylate
MFCD01547437
ZINC000252679633
ZINC000253534209

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.