Spektraris NMR
Guavanoic acid
Common Name: Guavanoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-18-24-20-9-10-23-28(5)17-21(34)25(35)27(3,4)22(28)11-12-30(23,7)29(20,6)13-15-32(24,26(36)37)16-14-31(18,8)38-19(2)33/h9,18,21-25,34-35H,10-17H2,1-8H3,(H,36,37)/t18-,21-,22?,23?,24?,25+,28+,29-,30-,31+,32-/m1/s1
InChIKey: InChIKey=MJTXEUZBYBMCSL-YESACSAASA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Begum S., Hassan S.I., Siddiqui B.S., Shaheen F., Nabeel Ghayur M., Gilani A.H. Phytochemistry (2002) 61, 399-403
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) | 47 |
| 2 (CH) | 69.1 |
| 3 (CH) | 83.5 |
| 4 (C) | 39.1 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 38.6 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 126.1 |
| 13 (C) | 139.6 |
| 14 (C) | 42.4 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 24.6 |
| 17 (C) | 48.1 |
| 18 (CH) | 52.8 |
| 19 (CH) | 39.1 |
| 20 (C) | 90.6 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 38.1 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 24.1 |
| 28 (C) | 179.9 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.2 |
| 20a (C) | 171.1 |
| 20b (CH3) | 22.7 |
