Primary record
Milbemycin A4 oxime
- CAS
- 129496-10-2
- PubChem CID
- 156596971
- SMILES
- CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)\C)C
- Molecular Formula
- C32H45NO7
- Molecular Weight
- 555.712
- Exact Mass
- 555.3196
- InChI
- InChI=1S/C32H45NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9?,33-28-/t19-,21-,24+,25-,26-,27+,29+,31+,32+/m0/s1
- InChIKey
- YCAZFHUABUMOIM-PCCHASEMSA-N
- LogP
- 5.3936
- TPSA
- 106.81
Names and synonyms
- Milbemycin A4 oxime
- (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21E,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-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
- 129496-10-2
- 93074-04-5