Spektraris NMR
2beta,3beta-Dihydroxy-D:C-friedoolean-8-ene-29-oic acid methyl ester
Common Name: 2beta,3beta-Dihydroxy-D:C-friedoolean-8-ene-29-oic acid methyl ester
Synonyms: 2beta,3beta-Dihydroxy-D:C-friedoolean-8-ene-29-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H50O4/c1-26(2)22-10-9-20-19(29(22,5)17-21(32)24(26)33)11-12-31(7)23-18-28(4,25(34)35-8)14-13-27(23,3)15-16-30(20,31)6/h21-24,32-33H,9-18H2,1-8H3/t21-,22-,23+,24-,27+,28+,29+,30+,31-/m0/s1
InChIKey: InChIKey=WXVFRJLEEWPFQZ-MXJYONDUSA-N
Formula: C31H50O4
Molecular Weight: 486.72747
Exact Mass: 486.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.R., Chen, H.W., Chang, C.I. Chem Pharm Bull (2008) 56, 385-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedooleananes; 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) | 40.7 |
| 2 (CH) | 71.4 |
| 3 (CH) | 78.4 |
| 4 (C) | 38.2 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 27.4 |
| 8 (C) | 133.2 |
| 9 (C) | 134.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 30.3 |
| 13 (C) | 37.1 |
| 14 (C) | 41.8 |
| 15 (CH2) | 24.9 |
| 16 (CH2) | 37 |
| 17 (C) | 30.9 |
| 18 (CH) | 44.7 |
| 19 (CH2) | 30.7 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 34.4 |
| 23 (CH3) | 29.6 |
| 24 (CH3) | 17 |
| 25 (CH3) | 21.6 |
| 26 (CH3) | 22 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 31.2 |
| 29 (C) | 179.3 |
| 30 (CH3) | 32.9 |
| 29a (CH3) | 51.5 |
