Spektraris NMR
Dorstenic acid B
Common Name: Dorstenic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O3/c1-17(2)18-7-10-21-24(18,3)13-15-27(6)22-11-9-20(28)19(8-12-23(29)30)25(22,4)14-16-26(21,27)5/h17-19,21-22H,7-16H2,1-6H3,(H,29,30)/t18-,19-,21-,22+,24-,25+,26+,27-/m1/s1
InChIKey: InChIKey=KZASYHCOTWMXPE-NZOIILRUSA-N
Formula: C27H44O3
Molecular Weight: 416.637477
Exact Mass: 416.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama, T., Hara, S., Makino, M., Fujimoto, Y. Phytochemistry (2002) 60, 761-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Adiananes; 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) | 17.1 |
| 2 (CH2) | 32.8 |
| 3 (C) | 178.5 |
| 5 (C) | 212 |
| 6 (CH2) | 42.1 |
| 7 (CH2) | 23.2 |
| 8 (CH) | 47.8 |
| 9 (C) | 41.8 |
| 10 (CH) | 64 |
| 11 (CH2) | 33.2 |
| 12 (CH2) | 28.7 |
| 13 (C) | 38.8 |
| 14 (C) | 40.4 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 42.7 |
| 18 (CH) | 51.5 |
| 19 (CH2) | 20 |
| 20 (CH2) | 28.3 |
| 21 (CH) | 60 |
| 22 (CH) | 30.7 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 15.3 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 22.8 |
