Spektraris NMR
Melissoidesin U
Common Name: Melissoidesin U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-12-16-8-17(30)21-25(7)20(34-15(4)29)9-19(33-14(3)28)24(5,6)22(25)18(32-13(2)27)11-26(21,10-16)23(12)31/h16-23,30-31H,1,8-11H2,2-7H3/t16-,17+,18+,19+,20+,21+,22-,23-,25+,26+/m1/s1
InChIKey: InChIKey=NKGOUSHKUVGPNO-CCFAVEKCSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, A.H., Han, Q.B., Li, R.T., Li, S.H., Qing, C., Zhang, Y.L., Zhao, Q.S., Wang, F.S., Sun, H.D. J Nat Prod (2004) 67, 1441-4
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 (CH) | 82.9 |
| 2 (CH2) | 30 |
| 3 (CH) | 78.6 |
| 4 (C) | 37.7 |
| 5 (CH) | 48.6 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 42.8 |
| 8 (C) | 43.7 |
| 9 (CH) | 55.1 |
| 10 (C) | 42.8 |
| 11 (CH) | 66.6 |
| 12 (CH2) | 43.2 |
| 13 (CH) | 40.1 |
| 14 (CH2) | 38 |
| 15 (CH) | 83 |
| 16 (C) | 158.3 |
| 17 (CH2) | 105.7 |
| 18 (CH3) | 28 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 14.8 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.7 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.4 |
| 6a (C) | 170 |
| 6b (CH3) | 20.9 |
