Spektraris NMR
Saptomycin E
Common Name: Saptomycin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H35NO10/c1-14-11-19-26(30-24(14)20(36)12-22(43-30)33(6)16(3)44-33)29(39)25-18(27(19)37)9-10-21(28(25)38)42-23-13-32(5,34(7)8)31(15(2)40-23)41-17(4)35/h9-12,15-16,23,31,38H,13H2,1-8H3/t15-,16?,23-,31+,32-,33?/m0/s1
InChIKey: InChIKey=CTIVMCVJWSMHSK-MACPPPJKSA-N
Formula: C33H35N1O10
Molecular Weight: 605.633003
Exact Mass: 605.226096
NMR Solvent: C6D6
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) | 167.8 |
| 3 (CH) | 109.5 |
| 4 (C) | 178.3 |
| 4a (C) | 126.7 |
| 5 (C) | 149.8 |
| 6 (CH) | 125.9 |
| 6a (C) | 136.2 |
| 7 (C) | 181.3 |
| 7a (C) | 131.1 |
| 8 (CH) | 119.4 |
| 9 (CH) | 133.6 |
| 10 (C) | 140.7 |
| 11 (C) | 159.4 |
| 11a (C) | 116.3 |
| 12 (C) | 188.1 |
| 12a (C) | 119.9 |
| 12b (C) | 156.3 |
| 13 (CH3) | 24 |
| 14 (C) | 57.4 |
| 15 (CH3) | 13.6 |
| 16 (CH) | 61.7 |
| 17 (CH3) | 13.8 |
| 1'' (CH) | 64.1 |
| 2'' (CH2) | 43 |
| 3'' (C) | 58 |
| 4'' (CH) | 76.9 |
| 5'' (CH) | 70.8 |
| 6'' (CH3) | 14.7 |
| 3''a (CH3) | 13.8 |
| 3''b (CH3) | 39.7 |
| 3''c (CH3) | 39.7 |
| 4''a (C) | 169.6 |
| 4''b (CH3) | 20.6 |
