Spektraris NMR
Sugikurojins H
Common Name: Sugikurojins H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1
InChIKey: InChIKey=FOWUQUQIDYYMAT-TUGUJQRKSA-N
Formula: C35H54O3
Molecular Weight: 522.802772
Exact Mass: 522.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Tanaka, T., Umeyama, A., Arihara, S. Chem Pharm Bull (2006) 54, 315-9
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) | 38.2 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.3 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 21.4 |
| 7 (CH) | 35.4 |
| 8 (C) | 131.4 |
| 9 (C) | 148.7 |
| 10 (C) | 37.9 |
| 11 (CH) | 110.8 |
| 12 (C) | 150.9 |
| 13 (C) | 131.6 |
| 14 (CH) | 127.1 |
| 15 (CH) | 27 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 25 |
| 1' (C) | 73.2 |
| 2' (CH2) | 27.3 |
| 3' (CH2) | 24.2 |
| 4' (C) | 137.3 |
| 5' (CH) | 122.7 |
| 6' (CH) | 40.2 |
| 7' (CH) | 39.6 |
| 8' (CH2) | 19.1 |
| 9' (CH2) | 35.5 |
| 10' (C) | 73 |
| 11' (CH3) | 24.2 |
| 12' (CH) | 25.9 |
| 13' (CH3) | 15 |
| 14' (CH3) | 21.5 |
| 15' (CH2) | 46.5 |
