Spektraris NMR
Calyculaglycosides A
Common Name: Calyculaglycosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O8/c1-19-10-8-12-20(2)14-16-24(17-15-21(3)13-9-11-19)30(6,7)38-29-27(34)28(36-23(5)32)26(33)25(37-29)18-35-22(4)31/h10,13-14,24-29,33-34H,8-9,11-12,15-18H2,1-7H3/b19-10+,20-14+,21-13+/t24-,25-,26+,27-,28+,29+/m1/s1
InChIKey: InChIKey=MWSDMFJTAFFQFX-BXKHSLCQSA-N
Formula: C30H48O8
Molecular Weight: 536.698473
Exact Mass: 536.334919
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) | 47.8 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 125.8 |
| 4 (C) | 133.5 |
| 5 (CH2) | 38.9 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 125.7 |
| 8 (C) | 133.1 |
| 9 (CH2) | 37.9 |
| 10 (CH2) | 24 |
| 11 (CH) | 125 |
| 12 (C) | 134.2 |
| 13 (CH2) | 39.4 |
| 14 (CH2) | 28.2 |
| 15 (C) | 81.7 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 15.6 |
| 1' (CH) | 97.1 |
| 2' (CH) | 72.2 |
| 3' (CH) | 78 |
| 4' (CH) | 69.7 |
| 5' (CH) | 73.9 |
| 6' (CH2) | 63.5 |
| 3'a (C) | 172.4 |
| 3'b (CH3) | 21 |
| 6'a (C) | 171.3 |
| 6'b (CH3) | 20.8 |
