| SpectraBase Spectrum ID |
8Ch0Cav0eE5 |
| Name |
Milbemycin B, 5-demethoxy-3,4-dihydro-25-methyl-5-oxo-, (4S,25R)- |
| CAS Registry Number |
124553-41-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H46O7 |
| InChI |
InChI=1S/C31H46O7/c1-19-7-6-8-24(18-32)31(35)17-28(33)22(4)14-27(31)29(34)36-26-15-25(10-9-20(2)13-19)38-30(16-26)12-11-21(3)23(5)37-30/h6-9,19,21-23,25-27,32,35H,10-18H2,1-5H3/b7-6+,20-9+,24-8+/t19-,21-,22-,23+,25+,26-,27-,30-,31+/m0/s1 |
| InChIKey |
CQIFIGJRSCKUNI-HNGWODLUSA-N |
| Molecular Weight |
530.702 g/mol |
| SMILES |
OC\C1=C\C=C\[C@@](C\C(=C\C[C@]2(O[C@@]3(C[C@@](OC([C@]4([C@]1(CC([C@](C4)(C)[H])=O)O)[H])=O)(C2)[H])O[C@](C)([C@](CC3)(C)[H])[H])[H])C)(C)[H] |
| SPLASH |
splash10-0ue9-0900000000-d57897d34c2a34e3f5a0 |
| Source of Spectrum |
F-45-7188-45 |
| Synonyms |
Spiro[3,7-methano-1H,5H-2,6-benzodioxacyclooctadecin-5,2'-[2H]pyran], milbemycin B deriv.
(+)-5-Desmethoxy-3,4S-dihydro-5-oxomilbemycin .beta.(1)
(1'S,2R,4'R,5S,6R,6'S,9'S,10'E,12'E,14'R,16'E,19'R)-9'-hydroxy-10'-(hydroxymethyl)-5,6,6',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0(4,9)]tricosane]-10',12',16'-triene-3',7'-dione |
| Wiley ID |
1403361 |
