Spektraris NMR
5beta-Hydroxycostic acid
Common Name: 5beta-Hydroxycostic acid
Synonyms: 5beta-Hydroxycostic acid
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10-5-4-7-14(3)8-6-12(9-15(10,14)18)11(2)13(16)17/h12,18H,1-2,4-9H2,3H3,(H,16,17)/t12-,14-,15+/m1/s1
InChIKey: InChIKey=UEQIFFFWXPAQCB-YUELXQCFSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zheng, Q., Xu, Z., Sun, X., Yao, W., Sun, H., Cheng, C.H., Zhao, Y. Phytochemistry (2003) 63, 835-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 34.9 |
| 2 (CH2) | 22.3 |
| 3 (CH2) | 37.1 |
| 4 (C) | 151.9 |
| 5 (C) | 72.5 |
| 6 (CH2) | 36.1 |
| 7 (CH) | 37.7 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 34.3 |
| 10 (C) | 39.1 |
| 11 (C) | 145.8 |
| 12 (CH2) | 123 |
| 13 (C) | 167.9 |
| 14 (CH3) | 22.4 |
| 15 (CH2) | 109.8 |
