Spektraris NMR
Crassumolide C
Common Name: Crassumolide C
Synonyms: Crassumolide C
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-14-7-5-9-17(21(23)24-4)10-6-8-15(2)13-19-18(12-11-14)16(3)20(22)25-19/h7,10,13,18-19H,3,5-6,8-9,11-12H2,1-2,4H3/b14-7+,15-13+,17-10+/t18-,19-/m0/s1
InChIKey: InChIKey=APOQWKMQOYCBGK-WUHANKGFSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chao, C.H., Wen, Z.H., Wu, Y.C., Yeh, H.C., Sheu, J.H. J Nat Prod (2008) 71, 1819-24
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) | 43.1 |
| 2 (CH) | 78 |
| 3 (CH) | 120.5 |
| 4 (C) | 142.2 |
| 5 (CH2) | 39.9 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 144.9 |
| 8 (C) | 129.8 |
| 9 (CH2) | 35.4 |
| 10 (CH2) | 25 |
| 11 (CH) | 123.1 |
| 12 (C) | 135.1 |
| 13 (CH2) | 36.2 |
| 14 (CH2) | 27 |
| 15 (C) | 138.9 |
| 16 (C) | 170.7 |
| 17 (CH2) | 120.7 |
| 18 (CH3) | 15.3 |
| 19 (C) | 168.1 |
| 20 (CH3) | 16.1 |
| 19a (CH3) | 51.2 |
