Spektraris NMR
3-Dehydroxylpresinularolide B
Common Name: 3-Dehydroxylpresinularolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7+,15-8+,17-10-/t18-,19+/m1/s1
InChIKey: InChIKey=KXVIJXIRUBWYDB-WJEGPQOWSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: C
MHz:
Calibration:
NMR references: 13C - Zhang, W., Krohn, K., Ding, J., Miao, Z.H., Zhou, X.H., Chen, S.H., Pescitelli, G., Salvadori, P., Kurtan, T., Guo, Y.W. J Nat Prod (2008) 71, 961-6
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) | 44.7 |
| 2 (CH) | 81.1 |
| 3 (CH2) | 44.9 |
| 4 (C) | 129.4 |
| 5 (CH) | 128.4 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 37.9 |
| 8 (C) | 134 |
| 9 (CH) | 124 |
| 10 (CH2) | 24.4 |
| 11 (CH2) | 34.6 |
| 12 (C) | 140.1 |
| 13 (CH) | 124.7 |
| 14 (CH2) | 33.5 |
| 15 (C) | 139.3 |
| 16 (C) | 170.2 |
| 17 (CH2) | 122.8 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 16.8 |
| 20 (CH2) | 60.1 |
