Ajacine
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Product Description
Product
Ajacine
CAS
509-17-1
Synonym
ajacine; 4-[[[2-(Acetylamino)benzoyl]oxy]methyl]-20-ethyl-1a,6ß,14a,16ß-tetramethoxyaconitane-7,8-diol
Typical Product Specifications
SMILES
CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C)CC[C@H](OC)[C@@]45[C@@H]6C[C@@H]7[C@H](C[C@@](O)([C@H]6[C@H]7OC)[C@@](O)([C@@H](OC)[C@H]24)[C@@H]15)OC
InChI
NUXFDCYXMLVOFU-AYBRVATOSA-N
InChIKey
1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30
Class
Ajacine
Product Description
Product
Ajacine
CAS
509-17-1
Synonym
ajacine; 4-[[[2-(Acetylamino)benzoyl]oxy]methyl]-20-ethyl-1a,6ß,14a,16ß-tetramethoxyaconitane-7,8-diol
Typical Product Specifications
SMILES
CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C)CC[C@H](OC)[C@@]45[C@@H]6C[C@@H]7[C@H](C[C@@](O)([C@H]6[C@H]7OC)[C@@](O)([C@@H](OC)[C@H]24)[C@@H]15)OC
InChI
NUXFDCYXMLVOFU-AYBRVATOSA-N
InChIKey
1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30
Class
