Spektraris NMR
Calcicolin B
Common Name: Calcicolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,21+,23+,24+/m1/s1
InChIKey: InChIKey=VPHPJXZKYUHFDK-AIWHPTMGSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
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) | 75.2 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 76.1 |
| 4 (C) | 36.3 |
| 5 (CH) | 50.7 |
| 6 (C) | 206.2 |
| 7 (CH) | 80 |
| 8 (C) | 53.2 |
| 9 (CH) | 56.1 |
| 10 (C) | 50.9 |
| 11 (CH) | 70.2 |
| 12 (CH2) | 37.4 |
| 13 (CH) | 35.9 |
| 14 (CH2) | 33.8 |
| 15 (C) | 202.2 |
| 16 (C) | 149.3 |
| 17 (CH2) | 114.3 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 13.9 |
| 7a (C) | 171.8 |
| 7b (CH3) | 21.4 |
| 11a (C) | 169.6 |
| 11b (CH3) | 21 |
