Spektraris NMR
Gelomulide R
Common Name: Gelomulide R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-11-18-14(32-21(11)28)9-16-23(6)8-7-17(31-13(3)26)22(4,5)19(23)15(30-12(2)25)10-24(16,29)20(18)27/h14-17,19-20,27,29H,7-10H2,1-6H3/t14-,15-,16+,17+,19-,20+,23+,24+/m1/s1
InChIKey: InChIKey=GHBFEIMHLNNJRP-XKONLSHYSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lee, C.L., Chang, F.R., Hsieh, P.W., Chiang, M.Y., Wu, C.C., Huang, Z.Y., Lan, Y.H., Chen, M., Lee, K.H., Yen, H.F., Hung, W.C., Wu, Y.C. Phytochemistry (2008) 69, 276-87
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.5 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 79.5 |
| 4 (C) | 37 |
| 5 (CH) | 52.3 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 47.3 |
| 8 (C) | 76 |
| 9 (CH) | 56.1 |
| 10 (C) | 39.2 |
| 11 (CH2) | 29.2 |
| 12 (CH) | 77.7 |
| 13 (C) | 164.3 |
| 14 (CH) | 72.3 |
| 15 (C) | 122.2 |
| 16 (C) | 175.1 |
| 17 (CH3) | 8.7 |
| 18 (CH3) | 31.7 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 18.3 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.8 |
