| SpectraBase Spectrum ID |
5KuvYpH0wIg |
| Name |
Rifabutin |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
16468 |
| Lot Number |
0461354-13 |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
72559-06-9 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H60N4O10 |
| IUPAC Name |
(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-16-(Acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1’-(2-methylpropyl)-spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2’,3’:7,8]naphth[1,2-d]imidazole-2,4’-piperidine]-5,10,26(3H,9H)-trione |
| InChI |
InChI=1S/C45H60N4O10/c1-22(2)21-49-18-16-45(17-19-49)47-33-30-31-38(53)28(8)41-32(30)42(55)44(10,59-41)57-20-12-15-24(4)40(58-29(9)50)27(7)37(52)26(6)36(51)23(3)13-11-14-25(5)43(56)46-35(39(31)54)34(33)48-45/h11-14,20,22-24,26-27,36-37,40,48,51-53H,15-19,21H2,1-10H3,(H,46,56)/b13-11+,20-12+,25-14+/t23-,24+,26+,27+,36-,37+,40+,44-/m0/s1 |
| InChIKey |
KDEIMAIOTIDAFY-TTWHOTSBSA-N |
| Instrument Name |
Bio-Rad FTS
|
| Molecular Weight |
816.993 g/mol |
| SMILES |
N1C(\C(=C\C=C\[C@@]([C@@]([C@]([C@]([C@]([C@@]([C@@](C\C=C\O[C@@]2(C(c3c4\C=5\C(=C\1C(c4c(c(c3O2)C)O)=O)NC1(N\5)CCN(CC1)CC(C)C)=O)C)(C)[H])(OC(C)=O)[H])(C)[H])(O)[H])(C)[H])(O)[H])(C)[H])C)=O |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Ansamycin; LM-427 |
| Technique |
KBr0 |
