Vitas-M small molecule compound
(8xi,9xi,14xi)-3,20-dioxopregn-4-ene-11,17,21-triyl triacetate
Catalog ID
STL524720
SMILES CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)CCC(=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 C27H36O8 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O8/c1-15(28)33-14-23(32)27(35-17(3)30)11-9-21-20-7-6-18-12-19(31)8-10-25(18,4)24(20)22(34-16(2)29)13-26(21,27)5/h12,20-22,24H,6-11,13-14H2,1-5H3/t20?,21?,22?,24?,25-,26-,27-/m0/s1InChIKey
RDTYFNDRVBLKAX-GBYQAHNCSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117diacetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8S9S10R13S14S17R)17(2acetoxyacetyl)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene1117diyldiacetate
(8xi9xi14xi)320dioxopregn4ene111721triyltriacetate
135638973
CC(=O)OC1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)CCC(=O)C=C1CC3)CC(C@)2(OC(=O)C)C(=O)COC(=O)C
InChI=1SC27H36O8c115(28)331423(32)27(3517(3)30)119212076181219(31)81025(184)24(20)22(3416(2)29)1326(2127)5h12202224H6111314H215H3t20?21?22?24?252627m0s1
MFCD01546467
ZINC000605698883
ZINC001772491798
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