Spektraris NMR
Concentricol B
Common Name: Concentricol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O7/c1-22(15-17-26(32)29(5,36)19-9-13-24(3)21-31)11-7-8-12-23(2)16-18-27(33)30(6,37)20-10-14-25(4)28(34)35/h11-14,26-27,31-33,36-37H,7-10,15-21H2,1-6H3,(H,34,35)/b22-11+,23-12+,24-13+,25-14+/t26-,27-,29-,30-/m0/s1
InChIKey: InChIKey=SJSJMAGSLBEBJS-QODJIQEDSA-N
Formula: C30H52O7
Molecular Weight: 524.730831
Exact Mass: 524.371304
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 (C) | 171.8 |
| 2 (C) | 128.7 |
| 3 (CH) | 144.4 |
| 4 (CH2) | 23.8 |
| 5 (CH2) | 39.1 |
| 6 (C) | 75.2 |
| 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) | 75.2 |
| 20 (CH2) | 39.1 |
| 21 (CH2) | 22.6 |
| 22 (CH) | 127.9 |
| 23 (C) | 135.7 |
| 24 (CH2) | 69 |
| 25 (CH3) | 12.4 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 13.7 |
