1. Primary Information
| English name: | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-10-(2-chloroethoxymethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one |
| CAS No.: | 134834-12-1 |
| Molecular formula: | C40H73ClN2O14 |
| Molecular weight: | 841.5 g/mol |
| SMILES: | CCC1C(C(C(C(=NOCOCCCl)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)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% | 1320 | -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)-10-(2-chloroethoxymethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
4.2 InChI
InChI=1S/C40H73ClN2O14/c1-14-28-40(10,49)33(45)23(4)30(42-52-20-51-16-15-41)21(2)18-38(8,48)35(57-37-31(44)27(43(11)12)17-22(3)53-37)24(5)32(25(6)36(47)55-28)56-29-19-39(9,50-13)34(46)26(7)54-29/h21-29,31-35,37,44-46,48-49H,14-20H2,1-13H3/b42-30-/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
4.3 InChIKey
XTXYIYHKHVFAAD-XZOIVAJYSA-N
4.4 Canonical SMILES
CCC1C(C(C(C(=NOCOCCCl)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
4.5 Isomeric SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCCl)/[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)N(C)C)O)(C)O)C)C)O)(C)O
