BGC > Product Search > Benzoylmesaconine

Molecular Formula: C31H43NO10
Molecular Weight: 589.678

Molecular Formula: C31H43NO10
Molecular Weight: 589.678

Description :
Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.

• Molecular Weight :589.67
• Purity :> 98%

Molecular Formula :
C31H43NO10
Canonical SMILES :
CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC
InChI :
InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
InChIKey :
PULWZCUZNRVAHT-IJNXHYLPSA-N
Appearance :
Powder
Synonyms :
Mesaconine 14-benzoate

More details are to be found here

Description :
Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.

• Molecular Weight :589.67
• Purity :> 98%

Molecular Formula :
C31H43NO10
Canonical SMILES :
CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC
InChI :
InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
InChIKey :
PULWZCUZNRVAHT-IJNXHYLPSA-N
Appearance :
Powder
Synonyms :
Mesaconine 14-benzoate

More details are to be found here