Spektraris NMR
Crassumolides D
Common Name: Crassumolides D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-7-5-8-15(2)13-18-17(16(3)19(21)23-18)10-12-20(4,22)11-6-9-14/h6-7,11,13,17-18,22H,3,5,8-10,12H2,1-2,4H3/b11-6+,14-7+,15-13+/t17-,18-,20-/m0/s1
InChIKey: InChIKey=KJXGGBUBHZLVAV-FTHBWNQNSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 43.9 |
| 2 (CH) | 78.1 |
| 3 (CH) | 121.2 |
| 4 (C) | 141.2 |
| 5 (CH2) | 39.3 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 122.3 |
| 8 (C) | 135.3 |
| 9 (CH2) | 40.5 |
| 10 (CH) | 126.8 |
| 11 (CH) | 137.9 |
| 12 (C) | 73.4 |
| 13 (CH2) | 39.7 |
| 14 (CH2) | 25.2 |
| 15 (C) | 139.4 |
| 16 (C) | 170.6 |
| 17 (CH2) | 121.6 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 27 |
