Spektraris NMR
Gelomulide V
Common Name: Gelomulide V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-10-17-12(29-19(10)26)8-14-21(5)13(20(3,4)7-6-15(21)24)9-16(28-11(2)23)22(14,27)18(17)25/h6-7,12-16,18,24-25,27H,8-9H2,1-5H3/t12-,13-,14+,15-,16+,18+,21-,22-/m1/s1
InChIKey: InChIKey=WVHUPAXIDXPOHK-MSXUOCPLSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
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 (CH) | 69.5 |
| 2 (CH) | 125.7 |
| 3 (CH) | 139.8 |
| 4 (C) | 34.9 |
| 5 (CH) | 36.9 |
| 6 (CH2) | 27.6 |
| 7 (CH) | 76.5 |
| 8 (C) | 74.8 |
| 9 (CH) | 43 |
| 10 (C) | 42.8 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 77.8 |
| 13 (C) | 164.2 |
| 14 (CH) | 70.8 |
| 15 (C) | 122.3 |
| 16 (C) | 175.1 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 31 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 18.3 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.1 |
