Spektraris NMR
Hyrtiosal
Common Name: Hyrtiosal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O3/c1-22(2)9-6-10-24(4)19(22)7-11-25(5)20(23(3,16-26)14-21(24)25)13-18(27)17-8-12-28-15-17/h8,12,15-16,18-21,27H,6-7,9-11,13-14H2,1-5H3/t18-,19-,20+,21+,23+,24-,25-/m0/s1
InChIKey: InChIKey=PUTJFIQGLGDLIT-RNDOZLNUSA-N
Formula: C25H38O3
Molecular Weight: 386.568361
Exact Mass: 386.282095
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Qiu, Y., Deng, Z., Pei, Y., Fu, H., Li, J., Proksch, P., Lin, W. J Nat Prod (2004) 67, 921-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Tricarbocyclics; 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) | 40.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.1 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 40.3 |
| 8 (C) | 44.5 |
| 9 (CH) | 60.4 |
| 10 (C) | 36.8 |
| 11 (CH2) | 33.68 |
| 12 (CH) | 205.7 |
| 13 (C) | 52.8 |
| 14 (CH) | 48.1 |
| 15 (CH2) | 33.69 |
| 16 (CH) | 64.2 |
| 17 (C) | 129.2 |
| 18 (CH) | 109.5 |
| 19 (CH) | 143.2 |
| 20 (CH3) | 21.2 |
| 21 (CH3) | 15.7 |
| 22 (CH3) | 33.5 |
| 23 (CH3) | 16.5 |
| 24 (CH3) | 19.1 |
| 25 (CH) | 139.8 |
