Spektraris NMR
Isogeoditin A
Common Name: Isogeoditin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O4/c1-18(21(31)12-11-20(3)30)9-8-10-19(2)26-22(32)17-24-28(6)16-14-25(33)27(4,5)23(28)13-15-29(24,26)7/h8-12,23-24H,13-17H2,1-7H3/b10-8+,12-11-,18-9+,26-19+/t23-,24-,28-,29-/m0/s1
InChIKey: InChIKey=LZZDDKOYYZTLIC-SLXXOZHFSA-N
Formula: C29H38O4
Molecular Weight: 450.610709
Exact Mass: 450.27701
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) | 31.3 |
| 2 (CH2) | 33.5 |
| 3 (C) | 216.3 |
| 4 (C) | 46.8 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 37.1 |
| 8 (C) | 44.9 |
| 9 (CH) | 47.6 |
| 10 (C) | 34.8 |
| 11 (CH2) | 37 |
| 12 (C) | 205.4 |
| 13 (C) | 148.3 |
| 14 (C) | 140.3 |
| 15 (CH) | 139.3 |
| 16 (CH) | 129.8 |
| 17 (CH) | 140.1 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 23.4 |
| 20 (C) | 140.8 |
| 21 (CH3) | 12 |
| 22 (C) | 195.3 |
| 23 (CH) | 137.6 |
| 24 (CH) | 134.2 |
| 25 (C) | 197.4 |
| 26 (CH3) | 29.7 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 24.5 |
