Spektraris NMR
Melissoidesin B
Common Name: Melissoidesin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(30)20-25(7)17(31)9-18(33-12(2)27)24(5,6)21(25)19(34-13(3)28)23(35-14(4)29)26(20,10-15)22(11)32/h15-21,23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1
InChIKey: InChIKey=KWWHAWFFHDLTEO-LYVLPCRDSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
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) | 33.6 |
| 3 (CH) | 79.4 |
| 4 (C) | 37.1 |
| 5 (CH) | 42.5 |
| 6 (CH) | 71 |
| 7 (CH) | 71.6 |
| 8 (C) | 50.5 |
| 9 (CH) | 60.3 |
| 10 (C) | 44.4 |
| 11 (CH) | 67 |
| 12 (CH2) | 41.2 |
| 13 (CH) | 37.9 |
| 14 (CH2) | 36.4 |
| 15 (C) | 205.7 |
| 16 (C) | 151 |
| 17 (CH2) | 110.5 |
| 18 (CH3) | 28 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 15.2 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.4 |
| 6a (C) | 169.7 |
| 6b (CH3) | 20.6 |
| 7a (C) | 169.5 |
| 7b (CH3) | 20.6 |
