Cimigenol-3-one

Category	Epstein-Barr virus (EBV)
CAS	31222-32-9
Description	Cimigenol-3-one is a natural compound isolated from the rhizomes of Cimicifuga dahurica.

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Synonyms	Cimigenol-3-one;31222-32-9;(1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one;AKOS040760330;FS-6863;HY-130789;CS-0113420;(1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0(1),(1)?.0(3),(1)?.0?,(1)?.0?,(1)(2).0(1)(2),(1)?]tetracosan-9-one;
IUPAC Name	(1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one
Molecular Weight	486.68
Molecular Formula	C30H46O5
Canonical SMILES	C[C@]12[C@@]3([H])[C@@]4(CC[C@@]1([C@]5([H])[C@@]6(O[C@]([C@H](O6)C(C)(O)C)([H])C[C@H]5C)[C@@H]2O)C)[C@@]7([C@@](C(C)(C(CC7)=O)C)([H])CC3)C4
InChI	InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-19,21-23,32-33H,8-15H2,1-7H3/t16-,17-,18+,19+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChIKey	JFTOWADKDXNJHZ-OTEZEVKPSA-N
Purity	98.5%
Appearance	Powder
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.