3-Deoxyaconitine
Product Specifications
CAS Number
3175-95-9
Hazard Statement
Fatal if swallowed; UN number: UN1544; Packing Group: I
Smiles
[13CH3][13C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[13C@@H]1[13CH2][13CH2][13C]2=O
Molecular Formula
13C6 C12 H22 O2
Molecular Weight
276.322
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i1+1,6+1,7+1,16+1,17+1,18+1
Additionnal Information
IUPAC name: (8R,9S,13S,14S)-3-hydroxy-13-(113C)methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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