Isopetasin

Product Name Isopetasin
Alternate Names Isopetasin Natural Products, Natural Products of Isopetasin
CAT No. CS-O-37634
CAS No. 469-26-1
Category Natural Products
Stock Enquire
Mol. Wt. 316.46 g/mol
Mol. For. C20H28O3
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Isopetasin
Smileys C/C=C(C)\C(O[C@H](CCC1=CC/2=O)[C@H](C)[C@@]1(C)CC2=C(C)/C)=O
Canonical Smiles CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C
InchIKey OFDHBFFGRFCQOW-KSEJUSODSA-N
Inchl InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1
IUPAC [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
Controlled No
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