Spektraris NMR
Rabyuennane A
Common Name: Rabyuennane A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O9/c1-13-18-11-19(33)22-27(8)10-9-20(34-14(2)29)26(6,7)23(27)21(35-15(3)30)25(37-17(5)32)28(22,12-18)24(13)36-16(4)31/h18,20-25H,1,9-12H2,2-8H3/t18-,20+,21-,22+,23-,24-,25+,27+,28+/m1/s1
InChIKey: InChIKey=DJLUBGACKAGRRX-FYELPWMYSA-N
Formula: C28H38O9
Molecular Weight: 518.596998
Exact Mass: 518.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Zhang, H.J., Lin, Z.W., Chen, Y.Z., Sun, H.D. Phytochemistry (1998) 48, 155-8
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 (CH2) | 36.2 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 78.1 |
| 4 (C) | 36.8 |
| 5 (CH) | 43.1 |
| 6 (CH) | 68.8 |
| 7 (CH) | 75.1 |
| 8 (C) | 46.9 |
| 9 (CH) | 60.5 |
| 10 (C) | 37.9 |
| 11 (C) | 209.1 |
| 12 (CH2) | 52.1 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 35 |
| 15 (CH) | 78.6 |
| 16 (C) | 150.1 |
| 17 (CH2) | 110.9 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 23 |
| 20 (CH3) | 20.5 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.3 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.1 |
| 7a (C) | 168.7 |
| 7b (CH3) | 20.9 |
| 15a (C) | 168.3 |
| 15b (CH3) | 20.5 |
