Spektraris NMR
1b,12-Epoxy-16-hydroxy-cis-ent-cleroda-13-en-15,16:18a,6a-diolide
Common Name: 1b,12-Epoxy-16-hydroxy-cis-ent-cleroda-13-en-15,16:18a,6a-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-9-6-14-20(3)11(18(23)25-14)4-5-12-16(20)19(9,2)8-13(24-12)10-7-15(21)26-17(10)22/h7,9,11-14,16-17,22H,4-6,8H2,1-3H3/t9-,11+,12-,13+,14+,16-,17?,19+,20+/m1/s1
InChIKey: InChIKey=YDGLOZNPYRLUBM-RRBHBEOKSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Blas, B., Zapp, J., Becker, H. Phytochemistry (2004) 65, 127-37
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 (CH) | 68.5 |
| 2 (CH2) | 25.8 |
| 3 (CH2) | 17.8 |
| 4 (CH) | 45.9 |
| 5 (C) | 40.1 |
| 6 (CH) | 81.9 |
| 7 (CH2) | 29.9 |
| 8 (CH) | 37.5 |
| 9 (C) | 35.3 |
| 10 (CH) | 55.5 |
| 11 (CH2) | 43.5 |
| 12 (CH) | 69.9 |
| 13 (C) | 169.8 |
| 14 (CH) | 117.6 |
| 15 (C) | 171.7 |
| 16 (CH) | 97 |
| 17 (CH3) | 14.2 |
| 18 (C) | 178 |
| 19 (CH3) | 31.9 |
| 20 (CH3) | 13.9 |
