Spektraris NMR
Isogeoditin B
Common Name: Isogeoditin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O5/c1-19(23(34)13-12-21(3)32)10-9-11-20(2)28-24(35)18-26-30(7)17-15-27(36-22(4)33)29(5,6)25(30)14-16-31(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,13-12-,19-10+,28-20+/t25-,26-,27-,30-,31-/m0/s1
InChIKey: InChIKey=CDPPOXOHMOXLAH-IRQGZCGKSA-N
Formula: C31H42O5
Molecular Weight: 494.663349
Exact Mass: 494.303224
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) | 32.8 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 80.3 |
| 4 (C) | 38.1 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 37.8 |
| 8 (C) | 44.5 |
| 9 (CH) | 49.6 |
| 10 (C) | 35.4 |
| 11 (CH2) | 36.5 |
| 12 (C) | 205.2 |
| 13 (C) | 148.8 |
| 14 (C) | 139.9 |
| 15 (CH) | 139 |
| 16 (CH) | 129.2 |
| 17 (CH) | 139.8 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 22 |
| 20 (C) | 138.7 |
| 21 (CH3) | 11.5 |
| 22 (C) | 194.8 |
| 23 (CH) | 137 |
| 24 (CH) | 133.9 |
| 25 (C) | 197 |
| 26 (CH3) | 29.1 |
| 28 (CH3) | 29 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 24.3 |
| 3a (C) | 169.8 |
| 3b (CH3) | 20.6 |
