Spektraris NMR
4b-Hydroxyclerodan-15-oic Acid
Common Name: 4b-Hydroxyclerodan-15-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-14(13-17(21)22)8-11-18(3)15(2)9-12-19(4)16(18)7-6-10-20(19,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14?,15-,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=DOBDLNYZSBEFBD-RTCOZFHTSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22.3 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 35.8 |
| 4 (C) | 76 |
| 5 (C) | 38.8 |
| 6 (CH2) | 31.9 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 36.4 |
| 9 (C) | 38.8 |
| 10 (CH) | 40.9 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 29.7 |
| 13 (CH) | 30.9 |
| 14 (CH2) | 41.5 |
| 15 (C) | 178.6 |
| 16 (CH3) | 20 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 24.4 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 18.6 |
