Spektraris NMR
Heteroscyphic acid C
Common Name: Heteroscyphic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-7-13(2)10-11-22(19(24)25)14(3)12-18(26-15(4)23)20(5)16(22)8-9-17-21(20,6)27-17/h7,10,14,16-18H,1,8-9,11-12H2,2-6H3,(H,24,25)/b13-10+/t14-,16+,17-,18+,20+,21-,22-/m1/s1
InChIKey: InChIKey=DHCIRWVQBPTPMQ-NSQGSVEXSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaudhury, S., Li, S., Donaldson, W.A. Chem Commun (2006) 0, 2069-70
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) | 16.7 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 63 |
| 4 (C) | 64.8 |
| 5 (C) | 42 |
| 6 (CH) | 76.6 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 34.4 |
| 9 (C) | 50.5 |
| 10 (CH) | 48.4 |
| 11 (CH2) | 32 |
| 12 (CH) | 124.8 |
| 13 (C) | 137.3 |
| 14 (CH) | 141.2 |
| 15 (CH2) | 111.2 |
| 16 (CH3) | 12.2 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 10.7 |
| 19 (CH3) | 21.6 |
| 20 (C) | 181.2 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.8 |
