Spektraris NMR
Acutisssimatriterpene E
Common Name: Acutisssimatriterpene E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31?,32+,34+,35+,36-,37-,38+,39+,40-/m0/s1
InChIKey: InChIKey=MQFUFTKXYPLXSO-GVQBCDSUSA-N
Formula: C40H52O9
Molecular Weight: 676.836999
Exact Mass: 676.361133
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tuchinda, P., Kornsakulkarn, J., Pohmakotr, M., Kongsaeree, P., Prabpai, S., Yoosook, C., Kasisit, J., Napaswad, C., Sophasan, S., Reutrakul, V. J Nat Prod (2008) 71, 655-63
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) | 40.1 |
| 2 (CH) | 118.1 |
| 3 (C) | 139.8 |
| 4 (C) | 38.2 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 73.8 |
| 8 (C) | 38.3 |
| 9 (CH) | 43.7 |
| 10 (C) | 36.6 |
| 11 (CH2) | 16.2 |
| 12 (CH2) | 25 |
| 13 (C) | 26.4 |
| 14 (C) | 34.3 |
| 15 (CH2) | 26 |
| 16 (CH2) | 21.8 |
| 17 (CH) | 46.5 |
| 18 (CH2) | 14.4 |
| 19 (CH3) | 16.6 |
| 20 (CH) | 42.4 |
| 21 (C) | 174.7 |
| 22 (CH) | 72 |
| 23 (C) | 112.2 |
| 24 (CH2) | 45.3 |
| 25 (C) | 82.5 |
| 26 (CH2) | 76.8 |
| 27 (CH3) | 19 |
| 28 (CH3) | 23.7 |
| 29 (CH2) | 72.5 |
| 30 (CH3) | 19.5 |
| 1' (C) | 136.7 |
| 2' (CH) | 106.5 |
| 3' (C) | 147.5 |
| 4' (C) | 146.7 |
| 5' (CH) | 108 |
| 6' (CH) | 119.1 |
| 7' (CH) | 81.5 |
| 8' (CH2) | 40.7 |
| 25a (CH3) | 50.6 |
| 3'a (CH2) | 100.8 |
