Spektraris NMR
Blumicin-A
Common Name: Blumicin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-15(24)30-13-16(7-6-10-21(2,3)27)17-8-11-22(4)14-23(28,12-9-18(22)25)19(17)20(26)29-5/h6-7,10,17-19,25,27-28H,8-9,11-14H2,1-5H3/b10-6+,16-7-/t17-,18+,19+,22+,23-/m1/s1
InChIKey: InChIKey=AZMYPPRBOSDBMG-JIRVKYQSSA-N
Formula: C23H36O7
Molecular Weight: 424.528627
Exact Mass: 424.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Chiang, C.Y., Huang, S.H., Wang, S.K., Duh, C.Y. J Nat Prod (2005) 68, 1336-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 |
|---|---|
| 1 (C) | 73.6 |
| 2 (CH) | 60.7 |
| 3 (CH) | 40.3 |
| 4 (CH2) | 30 |
| 5 (CH2) | 38.5 |
| 6 (C) | 37.2 |
| 7 (CH) | 73.8 |
| 8 (CH2) | 27.8 |
| 9 (CH2) | 28 |
| 10 (C) | 142.2 |
| 11 (CH) | 130 |
| 12 (CH) | 121.4 |
| 13 (CH) | 144 |
| 14 (C) | 71 |
| 15 (CH3) | 29.8 |
| 16 (CH3) | 29.8 |
| 17 (CH2) | 65 |
| 18 (C) | 173 |
| 19 (CH2) | 44.8 |
| 20 (CH3) | 29.6 |
| 17a (C) | 171 |
| 17b (CH3) | 21.2 |
| 18a (CH3) | 51.8 |
