
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 149633-99-8 |
| Catalog No. | 2A-9093214 |
| Chinese Name | jadomycin B |
| Synonyms | C12395; Jadomycin B |
| Molecular Formula | C30H31NO9 |
| Molecular Weight | 549.56800 |
| Purity | 96% |
| Density | 1.48g/cm3 |
| Boiling Point | 842ºC at 760mmHg |
| PubChem ID | 46530639 |
| SMILES | CCC(C)C1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(OC5CC(O)C(O)C(C)O5)cccc4C3=O)N21 |
| InChI | InChI=1S/C32H35NO9/c1-7-15(3)31(5)30(39)42-32(6)18-11-14(2)12-19(34)24(18)25-26(33(31)32)29(38)23-17(28(25)37)9-8-10-21(23)41-22-13-20(35)27(36)16(4)40-22/h8-12,15-16,20,22,27,34-36H,7,13H2,1-6H3/t15-,16-,20+,22-,27-,31-,32-/m0/s1 |
| InChI Key | BSBSCJRAEMDCHC-UHFFFAOYSA-N |
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