Spektraris NMR
Melissoidesin D
Common Name: Melissoidesin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-7-33-11-15-14-8-16(29)20-25(6)17(30)9-18(34-12(2)27)24(4,5)21(25)19(35-13(3)28)23(32)26(20,10-14)22(15)31/h14-21,23,29-30,32H,7-11H2,1-6H3/t14-,15-,16+,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1
InChIKey: InChIKey=DTXLHTNLCVLTBV-ANWKDDEPSA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Tian, J., Yue, J.M., Chen, S.N., Lin, Z.W., Sun, H.D. Phytochemistry (1998) 47, 1089-92
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) | 77.3 |
| 2 (CH2) | 34 |
| 3 (CH) | 79.6 |
| 4 (C) | 37.1 |
| 5 (CH) | 41.3 |
| 6 (CH) | 73.4 |
| 7 (CH) | 72.5 |
| 8 (C) | 50.7 |
| 9 (CH) | 59.1 |
| 10 (C) | 44.7 |
| 11 (CH) | 66.3 |
| 12 (CH2) | 34 |
| 13 (CH) | 30.3 |
| 14 (CH2) | 33.9 |
| 15 (C) | 224.1 |
| 16 (CH) | 57.2 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 15.6 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.5 |
| 6a (C) | 170 |
| 6b (CH3) | 20.9 |
| 17a (CH2) | 69.3 |
| 17b (CH3) | 15.5 |
