40800-90-6 Purity
96%
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The molecular formula is C25H34O6.
The PubChem CID is 91873606.
The IUPAC name is 4-[[(8S,9S,10R,11R,13R,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoic acid.
The InChI is InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25-/m0/s1.
The molecular weight is 430.5 g/mol.
The XLogP3 value is 2.4.
There is 1 hydrogen bond donor count.
There are 6 hydrogen bond acceptor counts.
There are 6 rotatable bond counts.
The topological polar surface area is 97.7Ų.
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