Spektraris NMR
Epistriatic acid
Common Name: Epistriatic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-18(2)20-11-13-29(6)15-16-30(7)21(26(20)29)9-10-23-31(8)22(12-14-32(23,30)27(35)36)28(4,5)24(34)17-25(31)37-19(3)33/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21+,22-,23+,24+,25+,26+,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=GVUGXPSIOSRTDM-WMZKGZRGSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kasai R., Matsumoto K., Taniyasu S., Tanaka O., Kim j.H., Hahn D.R. Chem Pharm Bull (1986) 34, 3284
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 77.4 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 76.1 |
| 4 (C) | 37.4 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 30.6 |
| 8 (C) | 54 |
| 9 (CH) | 52.5 |
| 10 (C) | 42.7 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 36.9 |
| 14 (C) | 43.3 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43.2 |
| 18 (CH) | 48.8 |
| 19 (CH) | 48 |
| 20 (C) | 150.8 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 27.6 |
| 24 (CH3) | 11.8 |
| 25 (CH3) | 11.8 |
| 26 (C) | 178.5 |
| 27 (CH3) | 15.9 |
| 28 (CH3) | 17.9 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.5 |
| 1a (C) | 170.6 |
| 1b (CH3) | 21.9 |
