Spektraris NMR
Calyculaglycoside D
Common Name: Calyculaglycoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23-,24+,25+,26-,27+/m1/s1
InChIKey: InChIKey=CJUXBFMESPSGKO-VIBVHPAGSA-N
Formula: C28H46O7
Molecular Weight: 494.661714
Exact Mass: 494.324354
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Y.P., Rodriguez, A.D., Padilla, O.L. J Nat Prod (2001) 64, 1439-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 47.7 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 125.9 |
| 4 (C) | 133.5 |
| 5 (CH2) | 38.8 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 125.7 |
| 8 (C) | 133.1 |
| 9 (CH2) | 37.8 |
| 10 (CH2) | 24 |
| 11 (CH) | 125 |
| 12 (C) | 134.2 |
| 13 (CH2) | 39.4 |
| 14 (CH2) | 28.2 |
| 15 (C) | 81.4 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 15.5 |
| 1' (CH) | 97.2 |
| 2' (CH) | 72.2 |
| 3' (CH) | 73.3 |
| 4' (CH) | 68.3 |
| 5' (CH) | 71.9 |
| 6' (CH2) | 62.8 |
| 6'a (C) | 171 |
| 6'b (CH3) | 20.8 |
