Spektraris NMR
Calcicolin C
Common Name: Calcicolin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-11-14-7-16(30-12(2)25)20-23(6)18(31-13(3)26)8-17(28)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19-,20+,23-,24+/m1/s1
InChIKey: InChIKey=ABAWRQQNGPQKMG-AZPRSEESSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Cehn, S., Lan, H., Lin, Z.W., Sun, H.D., Li, B.G., Chen, Y.Z. Phytochemistry (1998) 49, 2437-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 80.1 |
| 2 (CH2) | 31.8 |
| 3 (CH) | 76.3 |
| 4 (C) | 38.2 |
| 5 (CH) | 46.6 |
| 6 (CH) | 66.9 |
| 7 (CH2) | 41.9 |
| 8 (C) | 48.9 |
| 9 (CH) | 58.7 |
| 10 (C) | 43.2 |
| 11 (CH) | 70.2 |
| 12 (CH2) | 38.3 |
| 13 (CH) | 37.2 |
| 14 (CH2) | 38.3 |
| 15 (C) | 209.2 |
| 16 (C) | 149.8 |
| 17 (CH2) | 112.6 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 15.1 |
| 1a (C) | 171 |
| 1b (CH3) | 21.8 |
| 11a (C) | 169.6 |
| 11b (CH3) | 21.1 |
