Spektraris NMR
Durumolides A
Common Name: Durumolides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-12-6-5-9-22(11-27-15(4)23)18(29-22)10-16-14(3)21(26)28-20(16)19(25)13(2)7-8-17(12)24/h6-7,16-20,24-25H,3,5,8-11H2,1-2,4H3/b12-6+,13-7+/t16-,17-,18-,19-,20-,22+/m1/s1
InChIKey: InChIKey=SBTZVNIBVMVSSU-ASKGJAHUSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Wen, Z.H., Chiou, S.F., Hsu, C.H., Wang, S.K., Dai, C.F., Chiang, M.Y., Duh, C.Y. Tetrahedron (2008) 64, 9698-704
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 42.1 |
| 2 (CH2) | 31.1 |
| 3 (CH) | 62.5 |
| 4 (C) | 60.3 |
| 5 (CH2) | 32.5 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 129 |
| 8 (C) | 137.8 |
| 9 (CH) | 77.9 |
| 10 (CH2) | 33.2 |
| 11 (CH) | 126.8 |
| 12 (C) | 133.5 |
| 13 (CH) | 80.8 |
| 14 (CH) | 81.8 |
| 15 (C) | 138.3 |
| 16 (C) | 168.8 |
| 17 (CH2) | 124.5 |
| 18 (CH2) | 63.6 |
| 19 (CH3) | 11.1 |
| 20 (CH3) | 12.5 |
| 18a (C) | 170.8 |
| 18b (CH3) | 20.8 |
