Spektraris NMR
Acutissimatriterpene A
Common Name: Acutissimatriterpene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H50O8/c1-34(43-5)18-40(47-20-34)17-25(33(42)48-40)26-9-13-39-19-38(26,39)12-10-30-35(2)11-8-24-15-28(23-6-7-27-29(14-23)46-22-45-27)44-21-36(24,3)31(35)16-32(41)37(30,39)4/h6-8,14,17,26,28,30-32,41H,9-13,15-16,18-22H2,1-5H3/t26-,28-,30+,31+,32+,34+,35+,36-,37-,38+,39+,40+/m0/s1
InChIKey: InChIKey=FMFUJZHVPRHFHL-XYETYAIDSA-N
Formula: C40H50O8
Molecular Weight: 658.821713
Exact Mass: 658.350569
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 |
| 3 (C) | 139.5 |
| 4 (C) | 38.3 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 73.9 |
| 8 (C) | 38.6 |
| 9 (CH) | 42.4 |
| 10 (C) | 36.7 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 25.3 |
| 13 (C) | 27.9 |
| 14 (C) | 35.3 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 43 |
| 18 (CH2) | 14.1 |
| 19 (CH3) | 16.7 |
| 20 (C) | 138.4 |
| 21 (C) | 171.1 |
| 22 (CH) | 143.2 |
| 23 (C) | 113.3 |
| 24 (CH2) | 46.9 |
| 25 (C) | 83.4 |
| 26 (CH2) | 77.2 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 23.8 |
| 29 (CH2) | 72.6 |
| 30 (CH3) | 19.7 |
| 1' (C) | 136.7 |
| 2' (CH) | 106.6 |
| 3' (C) | 147.6 |
| 4' (C) | 146.8 |
| 5' (CH) | 108 |
| 6' (CH) | 119.2 |
| 7' (CH) | 81.6 |
| 8' (CH2) | 40.7 |
| 25a (CH3) | 50.8 |
| 3'a (CH2) | 100.9 |
