Catalog Number:
AG00FDE9
Chemical Name:
IverMectin B1 Aglycon
CAS Number:
73162-95-5
Molecular Formula:
C34H50O8
Molecular Weight:
586.7560
IUPAC Name:
(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24S)-6'-[(2S)-butan-2-yl]-12,21,24-trihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChI:
InChI=1S/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10?/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
InChI Key:
XOCXXEYUGYTCNG-AFVSOJIRSA-N
SMILES:
CC[C@@H]([C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](O2)C/C=C(\C)/[C@@H](O)[C@@H](C)/C=C/C=C\2/[C@]3([C@H](C(=O)O1)C=C(C)[C@H]([C@H]3OC2)O)O)C
