Spektraris NMR
Agladupol A
Common Name: Agladupol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18-,19+,21+,22-,23+,24+,25-,26-,29-,30+,31-/m0/s1
InChIKey: InChIKey=SBQFQOLBZXKZRP-QXVPSROSSA-N
Formula: C31H52O6
Molecular Weight: 520.742162
Exact Mass: 520.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xie, B.J., Yang, S.P., Chen, H.D., Yue, J.M. J Nat Prod (2007) 70, 1532-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) | 32.5 |
| 2 (CH2) | 25 |
| 3 (CH) | 76.2 |
| 4 (C) | 37 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 72.2 |
| 8 (C) | 44.3 |
| 9 (CH) | 41.6 |
| 10 (C) | 37.6 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 32.8 |
| 13 (C) | 46.6 |
| 14 (C) | 162 |
| 15 (CH) | 119.5 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 15.2 |
| 20 (CH) | 44.6 |
| 21 (CH) | 104.6 |
| 22 (CH2) | 31.4 |
| 23 (CH) | 78.7 |
| 24 (CH) | 76.6 |
| 25 (C) | 72.9 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 28 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 27.7 |
| 21a (CH3) | 55.1 |
