Spektraris NMR
Dorstenic acid A
Common Name: Dorstenic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(2)21-9-10-22-26(21,5)15-17-29(8)23-13-14-30(33,20(3)4)24(11-12-25(31)32)27(23,6)16-18-28(22,29)7/h19,21-24,33H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24+,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=SIOVBNIZEHKFNA-PTBUCUQJSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 17.4 |
| 2 (CH2) | 35.8 |
| 3 (C) | 178.5 |
| 4 (C) | 150.7 |
| 5 (C) | 78 |
| 6 (CH2) | 39.2 |
| 7 (CH2) | 20.1 |
| 8 (CH) | 49 |
| 9 (C) | 38.8 |
| 10 (CH) | 54.2 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 28.4 |
| 13 (C) | 38.9 |
| 14 (C) | 40.1 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 35.8 |
| 17 (C) | 42.6 |
| 18 (CH) | 51.6 |
| 19 (CH2) | 19.8 |
| 20 (CH2) | 28.1 |
| 21 (CH) | 60 |
| 22 (CH) | 30.7 |
| 23 (CH2) | 111.1 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 15.5 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 22.8 |
