Acetylaconitine structure, CAS 77181-26-1

Acetylaconitine

CAS Number77181-26-1

Synonyms3-acetylaconitine; Flaconitine

Molecular FormulaC36H49NO12

Molecular Weight687.774

Purity98.00%

Density1.4±0.1 g/cm3

Boiling Point715.9±60.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-9048090 Purity: 98.00%
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Quality Control of [ 77181-26-1 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number77181-26-1
Catalog No.2A-9048090
Chinese Name3-乙酰乌头碱
Synonyms3-acetylaconitine; Flaconitine
Molecular FormulaC36H49NO12
Molecular Weight687.774
Purity98.00
Density1.4±0.1 g/cm3
Boiling Point715.9±60.0 °C at 760 mmHg
Storage ConditionWarehouse is low temperature, ventilated and dry
ApplicationFlaconitine is an alkaloid isolated from the roots of A.szechenyianum. Flaconitine is an NF-κB inhibitor.
PubChem ID319429547
SMILESCCN1CC2(COC)C(OC(C)=O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
InChIInChI=1S/C36H49NO12.BrH/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35;/h9-13,21-31,40,42H,8,14-17H2,1-7H3;1H/t21-,22?,23?,24-,25?,26?,27-,28-,29?,30?,31?,33?,34-,35?,36-;/m1./s1
InChI KeyRIPYIJVYDYCPKW-LFNWZUEYSA-N
Transport InfoProduct Name: Acetyl Aconitine
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