Spektraris NMR
5beta-Hydroxyilicic acid
Common Name: 5beta-Hydroxyilicic acid
Synonyms: 5beta-Hydroxyilicic acid
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-10(12(16)17)11-5-8-13(2)6-4-7-14(3,18)15(13,19)9-11/h11,18-19H,1,4-9H2,2-3H3,(H,16,17)/t11-,13-,14-,15-/m1/s1
InChIKey: InChIKey=BWSMNSAZRMJSSZ-NMFUWQPSSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zheng, Q.X., Xu, Z.J., Sun, X.F., Gueritte, F., Cesario, M., Sun, H.D., Cheng, C.H., Hao, X.J., Zhao, Y. J Nat Prod (2003) 66, 1078-81
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 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) | 38.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 37.2 |
| 4 (C) | 76.4 |
| 5 (C) | 76.8 |
| 6 (CH2) | 36.7 |
| 7 (CH) | 38.3 |
| 8 (CH2) | 27.6 |
| 9 (CH2) | 35.2 |
| 10 (C) | 38.8 |
| 11 (C) | 148.4 |
| 12 (CH2) | 122.4 |
| 13 (C) | 171.2 |
| 14 (CH3) | 26.8 |
| 15 (CH3) | 25.6 |
