Spektraris NMR
Gemmacolides F
Common Name: Gemmacolides F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O15/c1-13-27(37)45-21-10-19(11-39-14(2)31)8-9-20(36)28(7)23(26(30(13,21)38)44-18(6)35)29(12-40-29)25(43-17(5)34)22(41-15(3)32)24(28)42-16(4)33/h8-10,13,20-26,36,38H,11-12H2,1-7H3/b9-8-,19-10+/t13-,20+,21-,22+,23+,24-,25+,26+,28+,29-,30-/m0/s1
InChIKey: InChIKey=VHHJOKRKIJVREM-QHYHTQRZSA-N
Formula: C30H38O15
Molecular Weight: 638.614899
Exact Mass: 638.221071
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - He, H.Y., Faulkner, D.J. Tetrahedron (1991) 47, 3271-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 46.2 |
| 2 (CH) | 64.1 |
| 3 (CH) | 124.1 |
| 4 (CH) | 137.2 |
| 5 (C) | 139.5 |
| 6 (CH) | 124.7 |
| 7 (CH) | 73.5 |
| 8 (C) | 81.5 |
| 9 (CH) | 78.8 |
| 10 (CH) | 32.8 |
| 11 (C) | 57.9 |
| 12 (CH) | 74.7 |
| 13 (CH) | 66.7 |
| 14 (CH) | 71.9 |
| 15 (CH3) | 12.9 |
| 16 (CH2) | 65 |
| 17 (CH) | 44.4 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.1 |
| 20 (CH2) | 49.2 |
| 9a (C) | 170.1 |
| 9b (CH3) | 20.6 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.5 |
| 13a (C) | 169.7 |
| 13b (CH3) | 20.8 |
| 14a (C) | 169.7 |
| 14b (CH3) | 20.9 |
| 16a (C) | 169.7 |
| 16b (CH3) | 20.9 |
