Spektraris NMR
Concentricol C
Common Name: Concentricol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O7/c1-24(16-18-29(35)31(6,37)20-10-14-26(3)22-33)12-8-9-13-25(2)17-19-30(36)32(7,38)21-11-15-27(4)23-39-28(5)34/h12-15,29-30,33,35-38H,8-11,16-23H2,1-7H3/b24-12+,25-13+,26-14+,27-15+/t29-,30-,31-,32-/m0/s1
InChIKey: InChIKey=FBTWHMZRGOCBMO-SYSGTNNFSA-N
Formula: C32H56O7
Molecular Weight: 552.784065
Exact Mass: 552.402604
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) | 71.3 |
| 2 (C) | 135.7 |
| 3 (CH) | 131.2 |
| 4 (CH2) | 22.6 |
| 5 (CH2) | 39 |
| 6 (C) | 75.3 |
| 7 (CH) | 78.1 |
| 8 (CH2) | 30.6 |
| 9 (CH2) | 38 |
| 10 (C) | 136.3 |
| 11 (CH) | 125.6 |
| 12 (CH2) | 29.3 |
| 13 (CH2) | 29.3 |
| 14 (CH) | 125.6 |
| 15 (C) | 136.3 |
| 16 (CH2) | 38 |
| 17 (CH2) | 30.6 |
| 18 (CH) | 78.1 |
| 19 (C) | 75.3 |
| 20 (CH2) | 39 |
| 21 (CH2) | 22.6 |
| 22 (CH) | 127.3 |
| 23 (C) | 135.7 |
| 24 (CH2) | 69 |
| 25 (CH3) | 14 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 13.7 |
| 1a (C) | 172.8 |
| 1b (CH3) | 20.8 |
