Spektraris NMR
Crassumolides A
Common Name: Crassumolides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-5-7-14(2)10-17(21)11-15(3)12-19-18(9-8-13)16(4)20(22)23-19/h7-8,11,17-19,21H,4-6,9-10,12H2,1-3H3/b13-8+,14-7+,15-11+/t17-,18+,19-/m0/s1
InChIKey: InChIKey=BIDNFRVXQJTBCI-XXYAPWOQSA-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) | 45.3 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 120.8 |
| 4 (C) | 136.7 |
| 5 (CH2) | 38.5 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 125.9 |
| 8 (C) | 131.1 |
| 9 (CH2) | 46.7 |
| 10 (CH) | 66.7 |
| 11 (CH) | 131.8 |
| 12 (C) | 133.2 |
| 13 (CH2) | 47 |
| 14 (CH) | 80.9 |
| 15 (C) | 139.1 |
| 16 (C) | 170.2 |
| 17 (CH2) | 123.3 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 16.9 |
