1. Primary Information
| English name: | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one |
| CAS No.: | 127182-43-8 |
| Molecular formula: | C37H68N2O13 |
| Molecular weight: | 748.9 g/mol |
| SMILES: | CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥90% | 2320 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
4.2 InChI
InChI=1S/C37H68N2O13/c1-14-25-37(10,44)30(41)20(4)27(39-45)18(2)16-36(9,47-13)32(52-34-28(40)24(38-11)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-35(8,46-12)31(42)23(7)49-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3/b39-27-/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
4.3 InChIKey
MPBKKWQXSHKTAP-UNEBWGFASA-N
4.4 Canonical SMILES
CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O
4.5 Isomeric SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O
