Spektraris NMR
Saptomycin D
Common Name: Saptomycin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H37NO10/c1-9-10-23-35(6,46-23)24-14-21(38)26-16(2)13-20-28(32(26)45-24)31(41)27-19(29(20)39)11-12-22(30(27)40)44-25-15-34(5,36(7)8)33(17(3)42-25)43-18(4)37/h9-14,17,23,25,33,40H,15H2,1-8H3/b10-9-/t17-,23?,25-,33+,34-,35?/m0/s1
InChIKey: InChIKey=SRBJSSTVEOVNRF-XZKIFWEOSA-N
Formula: C35H37N1O10
Molecular Weight: 631.670357
Exact Mass: 631.241746
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) | 167.1 |
| 3 (CH) | 109.9 |
| 4 (C) | 178.4 |
| 4a (C) | 126.6 |
| 5 (C) | 149.7 |
| 6 (CH) | 125.8 |
| 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 |
| 12a (C) | 119.9 |
| 12b (C) | 156.3 |
| 13 (CH3) | 24 |
| 14 (C) | 59.1 |
| 15 (CH3) | 14.4 |
| 16 (CH) | 61.6 |
| 17 (CH) | 124.1 |
| 18 (CH) | 133.4 |
| 19 (CH3) | 13.7 |
| 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) | 169.7 |
| 4''b (CH3) | 20.7 |
