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3-​Deoxyaconitine

Product Code

TRC-D231553

CAS Number

3175-95-9

Product Format

Neat

Molecular Formula

13C6 C12 H22 O2

Molecular Weight

276.322

Product Categories

TRC

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Documentation

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Product Information

Chemical Data

Analyte Name

3-Deoxyaconitine

CAS Number

3175-95-9

Molecular Formula

13C6 C12 H22 O2

Molecular Weight

276.322

Accurate Mass

276.182

SMILES

[13CH3][13C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[13C@@H]1[13CH2][13CH2][13C]2=O

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

IUPAC

(8R,9S,13S,14S)-3-hydroxy-13-(113C)methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SIL Type

Carbon

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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