Spektraris NMR
Isofouquierol
Common Name: Isofouquierol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-25(2,32)15-9-16-30(8,33)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-24,31-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=ILQOLRWKVAXWJC-XVGAYARYSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pakhathirathien, C., Karalai, C., Ponglimanont, C., Subhadhirasakul, S., Chantrapromma, K. J Nat Prod (2005) 68, 1787-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79 |
| 4 (C) | 39 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 42.4 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 16.2 |
| 20 (C) | 75.1 |
| 21 (CH3) | 25.7 |
| 22 (CH2) | 43.4 |
| 23 (CH) | 122.4 |
| 24 (CH) | 142 |
| 25 (C) | 70.8 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.5 |
