8-Deactyl-yunaconitine

Product Specifications

CAS Number

93460-55-0

Hazard Statement

No Data Available; UN number: UN2811; Packing Group: I

Smiles

CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34C5C[C@]6(O)[C@H](C[C@@](O)(C5[C@H]6OC(=O)c7ccc(OC)cc7)[C@@H]([C@H](OC)C23)[C@@H]14)OC

Molecular Formula

C33 H47 N O10

Molecular Weight

617.727

InChI

InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)20(35)12-21(41-4)33-19-13-31(37)22(42-5)14-32(38,24(27(33)34)25(43-6)26(30)33)23(19)28(31)44-29(36)17-8-10-18(40-3)11-9-17/h8-11,19-28,35,37-38H,7,12-16H2,1-6H3/t19?,20-,21+,22+,23?,24+,25+,26?,27-,28-,30+,31+,32-,33+/m1/s1

Additionnal Information

IUPAC name: [(1S,4R,5S,6S,8R,9R,10R,13R,14R,16S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate