Spektraris NMR
Gentirigenic acid
Common Name: Gentirigenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O7/c1-25(2)23(34)19(32)15-30(37-25,24(35)36)18-9-13-28(5)17(18)7-8-21-26(3)12-11-22(33)27(4,16-31)20(26)10-14-29(21,28)6/h17-23,31-34H,7-16H2,1-6H3,(H,35,36)/t17-,18+,19+,20-,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=UVHCBPZJADNRKK-FQPCDPSRSA-N
Formula: C30H50O7
Molecular Weight: 522.714949
Exact Mass: 522.355654
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xu, M., Wang, D., Zhang, Y.J., Yang, C.R. J Nat Prod (2007) 70, 880-3
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) | 39.4 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 80.4 |
| 4 (C) | 43.4 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 36.2 |
| 8 (C) | 40.7 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 30 |
| 12 (CH2) | 22.1 |
| 13 (CH) | 44.8 |
| 14 (C) | 50.2 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 26 |
| 17 (CH) | 45.7 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.9 |
| 20 (C) | 81.1 |
| 21 (C) | 178.7 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 77.6 |
| 24 (CH) | 79.7 |
| 25 (C) | 71.8 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 22.2 |
| 29 (CH2) | 64.5 |
| 30 (CH3) | 15.6 |
