Spektraris NMR
Saptomycin G
Common Name: Saptomycin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H35NO9/c1-9-15(2)23-13-21(36)25-16(3)12-20-27(31(25)43-23)30(39)26-19(28(20)37)10-11-22(29(26)38)42-24-14-33(6,34(7)8)32(17(4)40-24)41-18(5)35/h9-13,17,24,32,38H,14H2,1-8H3/b15-9+/t17-,24-,32+,33-/m0/s1
InChIKey: InChIKey=JTXDUUWSQQWMBZ-AIJPVEEISA-N
Formula: C33H35N1O9
Molecular Weight: 589.633598
Exact Mass: 589.231182
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) | 163.4 |
| 3 (CH) | 109 |
| 4 (C) | 178.9 |
| 4a (C) | 126.6 |
| 5 (C) | 149.7 |
| 6 (CH) | 125.5 |
| 6a (C) | 136.2 |
| 7 (C) | 181.2 |
| 7a (C) | 131.1 |
| 8 (CH) | 119.3 |
| 9 (CH) | 133.5 |
| 10 (C) | 140.6 |
| 11 (C) | 159.4 |
| 11a (C) | 116.3 |
| 12 (C) | 188.3 |
| 12a (C) | 119.7 |
| 12b (C) | 156.2 |
| 13 (CH3) | 24 |
| 14 (C) | 126.4 |
| 15 (CH3) | 11.7 |
| 16 (CH) | 133.5 |
| 17 (CH3) | 14.5 |
| 1'' (CH) | 64.2 |
| 2'' (CH2) | 42.9 |
| 3'' (C) | 58 |
| 4'' (CH) | 76.8 |
| 5'' (CH) | 70.8 |
| 6'' (CH3) | 14.8 |
| 3''a (CH3) | 13.8 |
| 3''b (CH3) | 39.7 |
| 3''c (CH3) | 39.7 |
| 4''a (C) | 169.6 |
| 4''b (CH3) | 20.7 |
