Spektraris NMR
Saptomycin B
Common Name: Saptomycin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H52N2O11/c1-11-12-13-19(2)26-16-25(44)31-20(3)14-23-32(39(31)54-26)38(48)34-33(36(23)46)27(52-29-15-24(42(7)8)35(45)21(4)50-29)17-28(37(34)47)53-30-18-41(6,43(9)10)40(49)22(5)51-30/h11-12,14,16-17,19,21-22,24,29-30,35,40,45,47,49H,13,15,18H2,1-10H3/b12-11-/t19?,21-,22+,24-,29+,30-,35-,40-,41+/m1/s1
InChIKey: InChIKey=ZJXSDECWTLSQBW-PSRLCMMFSA-N
Formula: C41H52N2O11
Molecular Weight: 748.860031
Exact Mass: 748.357111
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abe, N., Enoki, N., Nakakita, Y., Uchida, H., Nakamura, T., Munekata, M. J Antibiot (1993) 46, 1536-49
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Pluramycins; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 172.3 |
| 3 (CH) | 111.3 |
| 4 (C) | 179.3 |
| 4a (C) | 126.1 |
| 5 (C) | 149.7 |
| 6 (CH) | 126.6 |
| 6a (C) | 137.1 |
| 7 (C) | 183.6 |
| 7a (C) | 126.4 |
| 8 (C) | 140 |
| 9 (CH) | 132.4 |
| 10 (C) | 138.4 |
| 11 (C) | 158.8 |
| 11a (C) | 115.6 |
| 12 (C) | 188 |
| 12a (C) | 119.2 |
| 12b (C) | 156.4 |
| 13 (CH3) | 24.2 |
| 14 (CH) | 39 |
| 15 (CH3) | 17.6 |
| 16 (CH2) | 31.6 |
| 17 (CH) | 125.4 |
| 18 (CH) | 126.7 |
| 19 (CH3) | 12.9 |
| 1' (CH) | 75.4 |
| 2' (CH2) | 28.6 |
| 3' (CH) | 67.7 |
| 4' (CH) | 71.2 |
| 5' (CH) | 77.7 |
| 6' (CH3) | 18.6 |
| 1'' (CH) | 72.5 |
| 2'' (CH2) | 36.9 |
| 3'' (C) | 58.9 |
| 4'' (CH) | 70.3 |
| 5'' (CH) | 67.7 |
| 6'' (CH3) | 18 |
| 3'b (CH3) | 40.4 |
| 3'c (CH3) | 40.4 |
| 3''a (CH3) | 11 |
| 3''b (CH3) | 36.7 |
| 3''c (CH3) | 36.7 |
