Spektraris NMR
Gymnantheraric acid
Common Name: Gymnantheraric acid
Synonyms: Gymnantheraric acid
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-17-9-12-31(26(34)35)14-13-29(6)19(23(31)18(17)2)15-21(36-8)24-28(5)16-20(32)25(33)27(3,4)22(28)10-11-30(24,29)7/h15,17-18,20-25,32-33H,9-14,16H2,1-8H3,(H,34,35)/t17-,18+,20-,21-,22+,23+,24-,25-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=GNBLDTSHJKVAEE-KLXCRMFKSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikuta, A., Tomiyasu, H., Morita, Y., Yoshimura, K. J Nat Prod (2003) 66, 1051-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 43.8 |
| 2 (CH) | 66.2 |
| 3 (CH) | 79.3 |
| 4 (C) | 39.7 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.8 |
| 8 (C) | 38.7 |
| 9 (CH) | 52.8 |
| 10 (C) | 43.1 |
| 11 (CH) | 76.5 |
| 12 (CH) | 125.2 |
| 13 (C) | 143.2 |
| 14 (C) | 42.6 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 24.8 |
| 17 (C) | 47.6 |
| 18 (CH) | 53.8 |
| 19 (CH) | 39.3 |
| 20 (CH) | 39.1 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 29.7 |
| 24 (CH3) | 22.4 |
| 25 (CH3) | 18.5 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 23.1 |
| 28 (C) | 179.8 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.5 |
| 11a (CH3) | 54.7 |
