Spektraris NMR
Agladupol E
Common Name: Agladupol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24+,25-,26+,29+,30-,31+/m0/s1
InChIKey: InChIKey=PNEVHPUMSSFAQE-YGAWDCGASA-N
Formula: C31H52O5
Molecular Weight: 504.742757
Exact Mass: 504.381475
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 : Tirucallanes; 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) | 31.6 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 76.1 |
| 4 (C) | 37.3 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.6 |
| 9 (CH) | 48.3 |
| 10 (C) | 34.7 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 31.1 |
| 13 (C) | 43.5 |
| 14 (C) | 50.9 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 50.2 |
| 18 (CH3) | 22.5 |
| 19 (CH3) | 12.9 |
| 20 (CH) | 47.7 |
| 21 (CH) | 108.9 |
| 22 (CH2) | 33.7 |
| 23 (CH) | 76.6 |
| 24 (CH) | 75.4 |
| 25 (C) | 73 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 27.1 |
| 21a (CH3) | 55.6 |
