Spektraris NMR
Aglaiaglabretol A
Common Name: Aglaiaglabretol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)21-14-23(33)28(6)20(27(21,5)10-9-22(25)32)8-11-29-16-30(28,29)12-7-18(29)17-13-19(31)24(35-15-17)26(3,4)34/h17-21,23-24,31,33-34H,7-16H2,1-6H3/t17-,18+,19-,20-,21+,23-,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=HTVHBVFIBHNCDC-APNOWRLPSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Su, B.N., Chai, H., Mi, Q., Riswan, S., Kardono, L.B.S., Afriastini, J.J., Santarsiero, B.D., Mesecar, A.D., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. Bioorg Med Chem (2006) 14, 960-72
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) | 39.8 |
| 2 (CH2) | 34.2 |
| 3 (C) | 216.7 |
| 4 (C) | 47 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 27 |
| 7 (CH) | 73.6 |
| 8 (C) | 37.8 |
| 9 (CH) | 43.4 |
| 10 (C) | 36.9 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 28.8 |
| 13 (C) | 28.4 |
| 14 (C) | 39 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 46.5 |
| 18 (CH2) | 15.4 |
| 19 (CH3) | 16 |
| 20 (CH) | 41.1 |
| 21 (CH2) | 71.2 |
| 22 (CH2) | 37.5 |
| 23 (CH) | 65.2 |
| 24 (CH) | 87.8 |
| 25 (C) | 73.5 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 29.2 |
| 28 (CH3) | 26.8 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 20.3 |
