Vitas-M small molecule compound
(8xi,9xi,14xi)-6-methyl-20-oxo-3-(propan-2-yloxy)pregna-4,6-dien-17-yl acetate
Catalog ID
STL524429
SMILES CC(OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)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 C27H40O4 MW 428.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40O4/c1-16(2)30-20-8-11-25(6)22-9-12-26(7)23(21(22)14-17(3)24(25)15-20)10-13-27(26,18(4)28)31-19(5)29/h14-16,20-23H,8-13H2,1-7H3/t20?,21?,22?,23?,25-,26+,27+/m1/s1InChIKey
NZDFRHCQINXFLI-JCBQCCFDSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl61013trimethyl3propan2yloxy123891112141516decahydrocyclopenta(a)phenanthren17yl)acetate
(10R13S17R)17acetyl3isopropoxy61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi)6methyl20oxo3(propan2yloxy)pregna46dien17ylacetate
16395690
CC(OC1CC(C@)2(C(=C1)C(=CC1C2CC(C@)2(C1CC(C@)2(OC(=O)C)C(=O)C)C)C)C)C
InChI=1SC27H40O4c116(2)302081125(6)2291226(7)23(21(22)1417(3)24(25)1520)101327(2618(4)28)3119(5)29h14162023H813H217H3t20?21?22?23?2526+27+m1s1
MFCD01545991
ZINC000004025833
ZINC000253499807
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