Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 2,2-dimethylpropanoate
Catalog ID
STL524982
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)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 C26H38O5 MW 430.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38O5/c1-23(2,3)22(29)31-15-21(28)26(30)13-10-20-18-7-6-16-14-17(27)8-11-24(16,4)19(18)9-12-25(20,26)5/h14,18-20,30H,6-13,15H2,1-5H3/t18?,19?,20?,24-,25-,26-/m0/s1InChIKey
PXMGRYNNBNVZGO-QFEBIQKESA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)22dimethylpropanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl22dimethylpropanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylpivalate
75531702
InChI=1SC26H38O5c123(23)22(29)311521(28)26(30)1310201876161417(27)81124(164)19(18)91225(2026)5h14182030H61315H215H3t18?19?20?242526m0s1
MFCD01881483
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)COC(=O)C(C)(C)C)C)C
ZINC000005723704
ZINC000005723712
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