Spektraris NMR
(-)-cis-Cleroda-3,13-dien-12,16-dihydroxy-15,18-dioic acid-15,16:18,6a-diolide
Common Name: (-)-cis-Cleroda-3,13-dien-12,16-dihydroxy-15,18-dioic acid-15,16:18,6a-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10-7-15-20(3)12(18(24)25-15)5-4-6-14(20)19(10,2)9-13(21)11-8-16(22)26-17(11)23/h5,8,10,13-15,17,21,23H,4,6-7,9H2,1-3H3/t10-,13?,14-,15+,17?,19+,20-/m0/s1
InChIKey: InChIKey=PPIOYTLGGDQDKQ-YLEVIRCESA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geis, W., Buschauer, B., Becker, H. Phytochemistry (1999) 51, 643-9
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) | 17.6 |
| 2 (CH2) | 24.6 |
| 3 (CH) | 136.3 |
| 4 (C) | 133.5 |
| 5 (C) | 39.6 |
| 6 (CH) | 85 |
| 7 (CH2) | 35 |
| 8 (CH) | 32 |
| 9 (C) | 39.8 |
| 10 (CH) | 41.5 |
| 11 (CH2) | 42.4 |
| 12 (CH) | 64.8 |
| 13 (C) | 169.9 |
| 14 (CH) | 117.3 |
| 15 (C) | 172 |
| 16 (CH) | 97.1 |
| 17 (CH3) | 16.3 |
| 18 (C) | 169.9 |
| 19 (CH3) | 30.5 |
| 20 (CH3) | 15.4 |
