Spektraris NMR
geoditins A
Common Name: geoditins 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-OGMVXUOOSA-N
Formula: C29H38O4
Molecular Weight: 450.610709
Exact Mass: 450.27701
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, W.H., Che, C.T. J Nat Prod (2001) 64, 1489-92
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) | 33.3 |
| 3 (C) | 218.6 |
| 4 (C) | 46.7 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 36.9 |
| 8 (C) | 44.9 |
| 9 (CH) | 47.7 |
| 10 (C) | 34.8 |
| 11 (CH2) | 36.7 |
| 12 (C) | 206 |
| 13 (C) | 148.3 |
| 14 (C) | 138.4 |
| 15 (CH) | 140.2 |
| 16 (CH) | 128.3 |
| 17 (CH) | 141.3 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 23.5 |
| 20 (C) | 140.8 |
| 21 (CH3) | 12.1 |
| 22 (C) | 190.8 |
| 23 (CH) | 137.1 |
| 24 (CH) | 133.6 |
| 25 (C) | 197.8 |
| 26 (CH3) | 28.7 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 19.3 |
| 30 (CH3) | 24.5 |
