Spektraris NMR
Rhabdastrellic acid A Methyl ester
Common Name: Rhabdastrellic acid A Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O4/c1-20(12-10-14-22(3)28(34)35-8)11-9-13-21(2)27-23(32)19-25-30(6)18-16-26(33)29(4,5)24(30)15-17-31(25,27)7/h9-14,24-25H,15-19H2,1-8H3/b12-10+,13-9+,20-11+,22-14+,27-21-/t24-,25-,30-,31-/m0/s1
InChIKey: InChIKey=UNVNGRLSNXYHBW-ANQQJCNOSA-N
Formula: C31H42O4
Molecular Weight: 478.663944
Exact Mass: 478.30831
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Lv, F., Deng, Z., Li, J., Fu, H., van Soest, R.W., Proksch, P., Lin, W. J Nat Prod (2004) 67, 2033-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 33.6 |
| 2 (CH2) | 38.9 |
| 3 (C) | 216.4 |
| 4 (C) | 46.8 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 31.4 |
| 7 (CH2) | 36.8 |
| 8 (C) | 45.2 |
| 9 (CH) | 45.7 |
| 10 (C) | 34.9 |
| 11 (CH2) | 32.5 |
| 12 (C) | 205.9 |
| 13 (C) | 147 |
| 14 (C) | 140.7 |
| 15 (CH) | 135 |
| 16 (CH) | 131.9 |
| 17 (CH) | 135.4 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 23.4 |
| 20 (C) | 138.8 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 143.5 |
| 23 (CH) | 125.4 |
| 24 (CH) | 138.8 |
| 25 (C) | 128 |
| 26 (C) | 168.5 |
| 27 (CH3) | 13 |
| 28 (CH3) | 26.1 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 30.3 |
| 26a (CH3) | 51.7 |
