Spektraris NMR
Rubraside A
Common Name: Rubraside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-17-23-19(43-35(26(17)39)28(44-35)30(4,5)40)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,31+,32-,33+,34-,35-/m0/s1
InChIKey: InChIKey=LIZOAYORPILWQE-SVTSBZNUSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ali, Z., Khan, S.I., Khan, I.A. Planta Med (2006) 72, 1350-2
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.5 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 88.8 |
| 4 (C) | 41.6 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 47.8 |
| 9 (C) | 20.1 |
| 10 (C) | 26.9 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 33.8 |
| 13 (C) | 45.6 |
| 14 (C) | 47.2 |
| 15 (CH2) | 43.6 |
| 16 (CH) | 72.7 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 20.9 |
| 19 (CH2) | 30.5 |
| 20 (CH) | 35.1 |
| 21 (CH3) | 17.8 |
| 22 (CH) | 87.2 |
| 23 (C) | 106.3 |
| 24 (CH) | 83.6 |
| 25 (C) | 83.9 |
| 26 (CH3) | 25.1 |
| 27 (CH3) | 28.1 |
| 28 (CH3) | 26.1 |
| 29 (CH3) | 20 |
| 30 (CH3) | 15.7 |
| 1' (CH) | 107.8 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.6 |
| 5' (CH2) | 67.4 |
