Spektraris NMR
7a,15,18-Trihydroxy-ent-cleroda-3-ene
Common Name: 7a,15,18-Trihydroxy-ent-cleroda-3-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-14(9-11-21)8-10-19(3)15(2)17(23)12-20(4)16(13-22)6-5-7-18(19)20/h6,14-15,17-18,21-23H,5,7-13H2,1-4H3/t14?,15-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=KDWLWOGKAVVQMG-ORWORYAVSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Suttisri, R., Kinghorn, A.D., Wright, A.D., Sticher, O. Phytochemistry (1994) 35, 443-6
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) | 17.9 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 121.9 |
| 4 (C) | 148.6 |
| 5 (C) | 37.3 |
| 6 (CH2) | 42.4 |
| 7 (CH) | 73.8 |
| 8 (CH) | 39.2 |
| 9 (C) | 38.1 |
| 10 (CH) | 46.4 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 30.2 |
| 13 (CH) | 30.2 |
| 14 (CH2) | 39.9 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 20 |
| 17 (CH3) | 12.6 |
| 18 (CH2) | 63.1 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 20.3 |
