Vitas-M small molecule compound
(8xi,9xi,14xi)-6-chloro-3-hydroxy-20-oxopregna-4,6-dien-17-yl acetate
Catalog ID
STL525921
SMILES OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)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 C23H31ClO4 MW 406.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,15-18,27H,5-10H2,1-4H3/t15?,16?,17?,18?,21-,22+,23+/m1/s1InChIKey
QQEHDZXXCDSAFE-GYXPTHJRSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl6chloro3hydroxy1013dimethyl123891112141516decahydrocyclopenta(a)phenanthren17yl)acetate
(10R13S17R)17acetyl6chloro3hydroxy1013dimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi)6chloro3hydroxy20oxopregna46dien17ylacetate
16395857
InChI=1SC23H31ClO4c113(25)23(2814(2)26)10718161220(24)191115(27)5821(193)17(16)6922(1823)4h1112151827H510H214H3t15?16?17?18?2122+23+m1s1
MFCD01546613
OC1CC(C@)2(C(=C1)C(=CC1C2CC(C@)2(C1CC(C@)2(OC(=O)C)C(=O)C)C)Cl)C
ZINC000012656475
ZINC000253499889
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