Spektraris NMR
3-Dehydroxyl 20-acetylpresinularolide B
Common Name: 3-Dehydroxyl 20-acetylpresinularolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-15-7-5-9-16(2)13-21-20(17(3)22(24)26-21)12-11-19(10-6-8-15)14-25-18(4)23/h8-9,11,20-21H,3,5-7,10,12-14H2,1-2,4H3/b15-8+,16-9+,19-11-/t20-,21+/m1/s1
InChIKey: InChIKey=WVUIGZJAERAWJE-IOKPANFJSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
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) | 44.5 |
| 2 (CH) | 81.1 |
| 3 (CH2) | 45 |
| 4 (C) | 129.3 |
| 5 (CH) | 128.5 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 37.9 |
| 8 (C) | 134 |
| 9 (CH) | 123.8 |
| 10 (CH2) | 24.4 |
| 11 (CH2) | 34.6 |
| 12 (C) | 135.5 |
| 13 (CH) | 126.9 |
| 14 (CH2) | 33.8 |
| 15 (C) | 139.2 |
| 16 (C) | 170 |
| 17 (CH2) | 122.8 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 16.7 |
| 20 (CH2) | 61.7 |
| 20a (C) | 170.9 |
| 20b (CH3) | 20.9 |
