Spektraris NMR
Aglaiaglabretol C
Common Name: Aglaiaglabretol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O7/c1-9-19(2)28(38)42-26-12-13-32(7)23-11-14-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)15-10-21(34)20-16-22(41-29(20)39)27(37)31(5,6)40/h9,20-27,29,36-37,39-40H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23+,24-,25+,26-,27+,29?,32+,33-,34+,35+/m0/s1
InChIKey: InChIKey=QOYIHGQDAPZLBL-BFYYYYHGSA-N
Formula: C35H56O7
Molecular Weight: 588.816273
Exact Mass: 588.402604
NMR Solvent: CDCl3
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) | 38.25 |
| 2 (CH2) | 23.45 |
| 3 (CH) | 80.72 |
| 4 (C) | 37.53 |
| 5 (CH) | 46.03 |
| 6 (CH2) | 24.12 |
| 7 (CH) | 74.35 |
| 8 (C) | 38.84 |
| 9 (CH) | 44.07 |
| 10 (C) | 36.92 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 26.25 |
| 13 (C) | 28.84 |
| 14 (C) | 37.11 |
| 15 (CH2) | 25.67 |
| 16 (CH2) | 27.46 |
| 17 (CH) | 44.91 |
| 18 (CH2) | 13.73 |
| 19 (CH3) | 15.97 |
| 20 (CH) | 48.61 |
| 21 (CH) | 97.29 |
| 22 (CH2) | 29.44 |
| 23 (CH) | 78.75 |
| 24 (CH) | 74.8 |
| 25 (C) | 73.74 |
| 26 (CH3) | 26.72 |
| 27 (CH3) | 26.78 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.86 |
| 30 (CH3) | 19.51 |
| 3a (C) | 167.88 |
| 3b (C) | 129.16 |
| 3c (CH) | 136.66 |
| 3d (CH3) | 14.36 |
| 3ba (CH3) | 19.9 |
