Vitas-M small molecule compound
(10R,13S,17R)-3-hydroxy-10,13-dimethyl-1,2,3,3',4',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one
Catalog ID
STL564685
SMILES OC1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)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 C22H32O3 MW 344.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,15-18,23H,3-12H2,1-2H3/t15?,16?,17?,18?,20-,21-,22+/m0/s1InChIKey
UITNBJRZYAEYLY-IDSKFFGRSA-NSynonyms
(10R13S17R)3hydroxy1013dimethyl12334678910111213141516hexadecahydro5Hspiro(cyclopenta(a)phenanthrene172furan)5one
(10R13S17R)3hydroxy1013dimethylspiro(12367891112141516dodecahydrocyclopenta(a)phenanthrene175oxolane)2one
(2R3S8R10R13S)3hydroxy1013dimethyl123678910111213141516tetradecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)5(4H)one
16627160
InChI=1SC22H32O3c1209515(23)1314(20)341617(20)61021(2)18(16)71122(21)12819(24)2522h13151823H312H212H3t15?16?17?18?202122+m0s1
MFCD32651537
O(C@H)1CC(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)12CCC(=O)O1)C)C
ZINC000250859413
ZINC000253621752
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