Spektraris NMR
Acutissimatriterpene D
Common Name: Acutissimatriterpene D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H50O6/c1-33(42-5)20-39(44-22-33)19-26(32(41)45-39)27-12-16-38-21-37(27,38)15-13-29-34(2)14-11-25-17-28(24-9-7-6-8-10-24)43-23-35(25,3)30(34)18-31(40)36(29,38)4/h6-11,19,27-31,40H,12-18,20-23H2,1-5H3/t27-,28-,29+,30+,31+,33-,34+,35-,36-,37+,38+,39+/m0/s1
InChIKey: InChIKey=DUBRTGHCJCCRAJ-AFPXXGALSA-N
Formula: C39H50O6
Molecular Weight: 614.812167
Exact Mass: 614.360739
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) | 40.2 |
| 2 (CH) | 117.9 |
| 3 (C) | 139.8 |
| 4 (C) | 38.4 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 73.9 |
| 8 (C) | 38.6 |
| 9 (CH) | 42.5 |
| 10 (C) | 36.7 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 25.5 |
| 13 (C) | 27.9 |
| 14 (C) | 35.5 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 43.1 |
| 18 (CH2) | 14.2 |
| 19 (CH3) | 16.7 |
| 20 (C) | 139.2 |
| 21 (C) | 170.9 |
| 22 (CH) | 142.5 |
| 23 (C) | 112.6 |
| 24 (CH2) | 45.1 |
| 25 (C) | 82.3 |
| 26 (CH2) | 79.3 |
| 27 (CH3) | 22.2 |
| 28 (CH3) | 23.8 |
| 29 (CH2) | 72.6 |
| 30 (CH3) | 19.7 |
| 1' (C) | 142.7 |
| 2' (CH) | 125.8 |
| 3' (CH) | 128.4 |
| 4' (CH) | 127.5 |
| 5' (CH) | 128.4 |
| 6' (CH) | 125.8 |
| 7' (CH) | 81.8 |
| 8' (CH2) | 40.8 |
| 25a (CH3) | 51.3 |
