CID 76871849
Milbemycin alpha2
Structural Information
- Molecular Formula
- C32H46O7
- SMILES
- C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)\C)O[C@@H]1C
- InChI
- InChI=1S/C32H46O7/c1-19-8-7-9-24-18-36-29-28(35-6)22(4)15-27(32(24,29)34)30(33)37-26-16-25(11-10-20(2)14-19)39-31(17-26)13-12-21(3)23(5)38-31/h7-10,15,19,21,23,25-29,34H,11-14,16-18H2,1-6H3/b8-7+,20-10+,24-9+/t19-,21-,23+,25+,26-,27-,28+,29+,31-,32+/m0/s1
- InChIKey
- JAPXVXGBNCCGCS-RFEBHRRASA-N
- Compound name
- (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-21-methoxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 543.33162 | 232.3 |
[M+Na]+ | 565.31356 | 236.2 |
[M-H]- | 541.31706 | 237.0 |
[M+NH4]+ | 560.35816 | 238.4 |
[M+K]+ | 581.28750 | 237.3 |
[M+H-H2O]+ | 525.32160 | 229.1 |
[M+HCOO]- | 587.32254 | 230.6 |
[M+CH3COO]- | 601.33819 | 236.3 |
[M+Na-2H]- | 563.29901 | 227.9 |
[M]+ | 542.32379 | 229.6 |
[M]- | 542.32489 | 229.6 |
Literature stripe
Patent stripe
No patent data available for this compound.