Spektraris NMR
geoditins B
Common Name: geoditins 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-SQBDJJPTSA-N
Formula: C31H42O5
Molecular Weight: 494.663349
Exact Mass: 494.303224
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) | 33.1 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 80.7 |
| 4 (C) | 38.1 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 38.2 |
| 8 (C) | 44.9 |
| 9 (CH) | 50 |
| 10 (C) | 35.6 |
| 11 (CH2) | 36.8 |
| 12 (C) | 206.5 |
| 13 (C) | 149.4 |
| 14 (C) | 138.3 |
| 15 (CH) | 140.5 |
| 16 (CH) | 128.7 |
| 17 (CH) | 141.5 |
| 18 (CH3) | 16 |
| 19 (CH3) | 22.5 |
| 20 (C) | 140.3 |
| 21 (CH3) | 12.2 |
| 22 (C) | 190.9 |
| 23 (CH) | 137.1 |
| 24 (CH) | 133.8 |
| 25 (C) | 197.9 |
| 26 (CH3) | 28.8 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 24.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.4 |
