Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-pregna-4,6-diene-3,20-dione
Catalog ID
STL564316
SMILES O=C1CC[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CCC2C(=O)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 C21H28O2 MW 312.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16?,17?,18?,19?,20-,21+/m0/s1InChIKey
JGMOKGBVKVMRFX-KKINBUFLSA-NSynonyms
(10R13S)17acetyl1013dimethyl1289111214151617decahydrocyclopenta(a)phenanthren3one
(8S9S10R13S14S17S)17acetyl1013dimethyl891011121314151617decahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi17xi)pregna46diene320dione
145705484
InChI=1SC21H28O2c113(22)1767181654141215(23)81020(142)19(16)91121(1718)3h45121619H611H213H3t16?17?18?19?2021+m0s1
O=C1CC(C@)2(C(=C1)C=C(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)C)C)C
ZINC000005383367
ZINC000306121643
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