Spektraris NMR
Agladupol B
Common Name: Agladupol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O7/c1-18(34)39-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(40-28(19)38-9)27(36)30(4,5)37/h11,19-21,23-28,35-37H,10,12-17H2,1-9H3/t19-,20-,21+,23+,24-,25+,26+,27-,28-,31-,32+,33-/m0/s1
InChIKey: InChIKey=VEGLQFQCUDCVIL-HKUCWEQESA-N
Formula: C33H54O7
Molecular Weight: 562.77892
Exact Mass: 562.386954
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) | 75.9 |
| 4 (C) | 36.9 |
| 5 (CH) | 41.8 |
| 6 (CH2) | 23.2 |
| 7 (CH) | 75.5 |
| 8 (C) | 42.2 |
| 9 (CH) | 43 |
| 10 (C) | 37.4 |
| 11 (CH2) | 16.4 |
| 12 (CH2) | 33.2 |
| 13 (C) | 46.4 |
| 14 (C) | 159.7 |
| 15 (CH) | 118.2 |
| 16 (CH2) | 35 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 15.3 |
| 20 (CH) | 44.7 |
| 21 (CH) | 104.7 |
| 22 (CH2) | 31.3 |
| 23 (CH) | 78.7 |
| 24 (CH) | 76.5 |
| 25 (C) | 72.9 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 27.5 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.3 |
| 21a (CH3) | 55.1 |
