Spektraris NMR
16-Hydroxytriptobenzene H
Common Name: 16-Hydroxytriptobenzene H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-11(10-22)15-9-17(23)18-14(19(15)26-4)5-6-16-12(2)13(20(24)25)7-8-21(16,18)3/h9,11,16,22-23H,5-8,10H2,1-4H3,(H,24,25)/t11?,16-,21-/m0/s1
InChIKey: InChIKey=OLBWQSWJMYMYAR-SKOOGGLDSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, G.Z., Li, Y.C. Helv Chim Acta (2002) 85, 168-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lanugons; 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) | 33.3 |
| 2 (CH2) | 26.3 |
| 3 (C) | 127.2 |
| 4 (C) | 144.7 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 27.1 |
| 8 (C) | 131.3 |
| 9 (C) | 132.6 |
| 10 (C) | 38.1 |
| 11 (C) | 153.9 |
| 12 (CH) | 113.4 |
| 13 (C) | 136.1 |
| 14 (C) | 149.7 |
| 15 (CH) | 35.5 |
| 16 (CH2) | 68.2 |
| 17 (CH3) | 19 |
| 18 (C) | 172.1 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 18.5 |
| 14a (CH3) | 60.9 |
