Spektraris NMR
Durumhemiketalolide B
Common Name: Durumhemiketalolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t18-,19-,21+,22+/m1/s1
InChIKey: InChIKey=KMXSIXIXRFATQL-GNVODJQISA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
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) | 46 |
| 2 (CH2) | 32.6 |
| 3 (CH) | 82.6 |
| 4 (C) | 73.7 |
| 5 (CH2) | 33.6 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 127.8 |
| 8 (C) | 133.4 |
| 9 (CH2) | 39.3 |
| 10 (CH2) | 25.1 |
| 11 (CH) | 131.4 |
| 12 (C) | 127.7 |
| 13 (CH2) | 45.9 |
| 14 (C) | 114.7 |
| 15 (C) | 139.6 |
| 16 (C) | 167.7 |
| 17 (CH2) | 123.5 |
| 18 (CH2) | 67.3 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 19.1 |
| 18a (C) | 171.7 |
| 18b (CH3) | 20.9 |
