Spektraris NMR
Concentricol D
Common Name: Concentricol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O5/c1-24(13-9-18-30(5,35)19-10-14-25(2)22-33)12-8-16-28-31(6,29-17-21-32(28,7)37-29)20-11-15-26(3)23-36-27(4)34/h12,14-15,28-29,33,35H,8-11,13,16-23H2,1-7H3/b24-12+,25-14+,26-15+/t28-,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=KBBMCHGZAYEKJJ-OKAWGCFQSA-N
Formula: C32H54O5
Molecular Weight: 518.769374
Exact Mass: 518.397125
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Quang D.N., Hashimoto T., Tanaka M., Baumgartner M., Stadler M., Asakawa Y. Phytochemistry (2002) 61, 345-53
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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) | 71.2 |
| 2 (C) | 131.3 |
| 3 (CH) | 130.7 |
| 4 (CH2) | 24.7 |
| 5 (CH2) | 40.9 |
| 6 (C) | 50 |
| 7 (CH) | 86.4 |
| 8 (CH2) | 39.9 |
| 9 (CH2) | 26.6 |
| 10 (C) | 88.2 |
| 11 (CH) | 56.9 |
| 12 (CH2) | 29 |
| 13 (CH2) | 29.2 |
| 14 (CH) | 125.8 |
| 15 (C) | 136.4 |
| 16 (CH2) | 37.9 |
| 17 (CH2) | 30.6 |
| 18 (CH2) | 78 |
| 19 (C) | 75.3 |
| 20 (CH2) | 39.2 |
| 21 (CH2) | 22.6 |
| 22 (CH) | 127.3 |
| 23 (C) | 135.7 |
| 24 (CH2) | 69 |
| 25 (CH3) | 13.7 |
| 26 (CH3) | 20.1 |
| 27 (CH3) | 19.1 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 22 |
| 30 (CH3) | 14 |
| 1a (C) | 172.9 |
| 1b (CH3) | 20.8 |
