Spektraris NMR
Crassumolides B
Common Name: Crassumolides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-6-4-8-17(13-21)9-5-7-15(2)12-19-18(11-10-14)16(3)20(22)23-19/h6,9,12,18-19,21H,3-5,7-8,10-11,13H2,1-2H3/b14-6+,15-12+,17-9+/t18-,19-/m0/s1
InChIKey: InChIKey=ZMVCRUREHOFWFQ-MGNQPWLNSA-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) | 43.4 |
| 2 (CH) | 78.1 |
| 3 (CH) | 120.6 |
| 4 (C) | 141.9 |
| 5 (CH2) | 39.8 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 129.8 |
| 8 (C) | 137 |
| 9 (CH2) | 35.7 |
| 10 (CH2) | 24 |
| 11 (CH) | 123.9 |
| 12 (C) | 134.1 |
| 13 (CH2) | 36.3 |
| 14 (CH2) | 27.1 |
| 15 (C) | 139 |
| 16 (C) | 170.8 |
| 17 (CH2) | 120.7 |
| 18 (CH3) | 15.3 |
| 19 (CH2) | 60 |
| 20 (CH3) | 16.1 |
