Aconitine
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- structure.search.product.name Aconitine
- Product Code: DRE-C10042300
- CAS Number: 302-27-2
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-C10042300
CAS Number
Product Format
Neat
Lot Number
1565812
Expiry
2026-10-10
Molecular Formula
C34 H47 N O11
Molecular Weight
645.74
Product Categories
Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Dr. Ehrenstorfer
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Aconitine
CAS Number
302-27-2
Molecular Formula
C34 H47 N O11
Molecular Weight
645.74
Accurate Mass
645.3149
SMILES
CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c7ccccc7
InChI
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1
IUPAC
[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
GERMANY
Product Format
Neat