Spektraris NMR
7b,12:8b,12-diepoxy-16a-hydroxy-cis-ent-cleroda-13-en-15,16:18a,6a-diolide
Common Name: 7b,12:8b,12-diepoxy-16a-hydroxy-cis-ent-cleroda-13-en-15,16:18a,6a-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-17-8-20(10-7-12(21)24-16(10)23)26-14(19(17,3)27-20)13-18(2)9(15(22)25-13)5-4-6-11(17)18/h7,9,11,13-14,16,23H,4-6,8H2,1-3H3/t9-,11+,13-,14-,16-,17+,18+,19-,20-/m0/s1
InChIKey: InChIKey=OMRZIYHFGILQAL-OTJIRUJJSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
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 (CH2) | 22.6 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 15.1 |
| 4 (CH) | 50.9 |
| 5 (C) | 39.9 |
| 6 (CH) | 82.1 |
| 7 (CH) | 78 |
| 8 (C) | 85.9 |
| 9 (C) | 42.4 |
| 10 (CH) | 45.8 |
| 11 (CH2) | 53.1 |
| 12 (C) | 104.5 |
| 13 (C) | 159.8 |
| 14 (CH) | 121.9 |
| 15 (C) | 169.5 |
| 16 (CH) | 97.5 |
| 17 (CH3) | 16.1 |
| 18 (C) | 177.9 |
| 19 (CH3) | 30.1 |
| 20 (CH3) | 26.1 |
