Spektraris NMR
Durumhemiketalolide A
Common Name: Durumhemiketalolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-13-6-4-7-14(2)11-20(23)16-10-17(24-18(22)15(16)3)19(12-21,25-20)9-5-8-13/h7-8,16-17,21,23H,3-6,9-12H2,1-2H3/b13-8+,14-7+/t16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=PNLRNCZZDLSFIR-JPMBRDTOSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Wen, Z.H., Wang, S.K., Chiou, S.F., Hsu, C.H., Dai, C.F., Chiang, M.Y., Duh, C.Y. J Nat Prod (2009) 72, 152-5
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) | 45.9 |
| 2 (CH2) | 32.4 |
| 3 (CH) | 85.2 |
| 4 (C) | 72.2 |
| 5 (CH2) | 34.3 |
| 6 (CH2) | 22.1 |
| 7 (CH) | 127.4 |
| 8 (C) | 133.8 |
| 9 (CH2) | 39.5 |
| 10 (CH2) | 25.4 |
| 11 (CH) | 131 |
| 12 (C) | 128.4 |
| 13 (CH2) | 46.2 |
| 14 (C) | 114 |
| 15 (C) | 139.4 |
| 16 (C) | 167.7 |
| 17 (CH2) | 124 |
| 18 (CH2) | 66.7 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 19.2 |
