2243-09-6 Purity
95%
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Specification
The molecular formula of algestone acetophenide is C29H36O4.
The molecular weight of algestone acetophenide is 448.6 g/mol.
The IUPAC name of algestone acetophenide is (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.0 2,9 .0 4,8 .0 13,18 ]icos-17-en-16-one.
The InChI of algestone acetophenide is InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1.
The CAS number of algestone acetophenide is 24356-94-3.
The ChEMBL ID of algestone acetophenide is CHEMBL3989742.
The UNII of algestone acetophenide is OL7KC2O3OT.
The XLogP3-AA value of algestone acetophenide is 4.6.
Algestone acetophenide has 0 hydrogen bond donor count and 4 hydrogen bond acceptor counts.
The topological polar surface area of algestone acetophenide is 52.6Ų.