Spektraris NMR
Macrocalyxin G
Common Name: Macrocalyxin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O7/c1-12(23)28-11-20(26)9-21-14(6-5-13(20)16(21)24)19-8-4-7-18(2,3)15(19)17(25)22(21,27)29-10-19/h13-17,24-27H,4-11H2,1-3H3/t13-,14+,15-,16?,17+,19-,20-,21-,22+/m1/s1
InChIKey: InChIKey=QCXYTNBBTIKOMM-CXYLCZTDSA-N
Formula: C22H34O7
Molecular Weight: 410.50201
Exact Mass: 410.230453
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wang, H.P., Hu, H.P., Sun, H.D., Wang, S.Q., Ueda, S., Kuroda, Y., Fujita, T. Phytochemistry (1995) 38, 921-6
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 (CH2) | 30.6 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.7 |
| 5 (CH) | 58.1 |
| 6 (CH) | 73.2 |
| 7 (C) | 99.3 |
| 8 (C) | 54.2 |
| 9 (CH) | 43.6 |
| 10 (C) | 36 |
| 11 (CH2) | 14.7 |
| 12 (CH2) | 20.4 |
| 13 (CH) | 46.1 |
| 14 (CH) | 75.7 |
| 15 (CH2) | 72 |
| 16 (C) | 76.6 |
| 17 (CH2) | 73.7 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22.4 |
| 20 (CH2) | 65.5 |
| 17a (C) | 171.2 |
| 17b (CH3) | 20.9 |
