Spektraris NMR
Blaphaein
Common Name: Blaphaein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(22)23)16(14)12-17(15)24-5/h8,11-13H,6-7,9-10H2,1-5H3,(H,22,23)/t21-/m0/s1
InChIKey: InChIKey=GHWYBNMQXBDDDB-NRFANRHFSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Oksuz, S., Topcu, G., Goren, A.C., Voelter, W. J Nat Prod (2001) 64, 549-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH2) | 29.8 |
| 2 (CH2) | 18 |
| 3 (CH2) | 34.2 |
| 4 (C) | 37 |
| 5 (C) | 133.4 |
| 6 (CH) | 101.1 |
| 7 (CH2) | 38.9 |
| 8 (C) | 136 |
| 9 (C) | 128 |
| 10 (C) | 47 |
| 11 (CH) | 125.8 |
| 12 (C) | 156.3 |
| 13 (C) | 136.4 |
| 14 (CH) | 106.9 |
| 15 (CH) | 33.1 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 26.5 |
| 20 (C) | 182.2 |
| 12a (CH3) | 55.1 |
