Spektraris NMR
2b,3a,16a,23-Tetrahydroxyolean-12-en-28-oic acid
Common Name: 2b,3a,16a,23-Tetrahydroxyolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)11-12-30(24(35)36)18(13-25)17-7-8-21-26(3)14-19(32)23(34)27(4,16-31)20(26)9-10-28(21,5)29(17,6)15-22(30)33/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21+,22+,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KGGGRGBDMBZXKF-PJMUMSGCSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pradhan B.P., Hassan A., Shoolery J.N. Tetrahedron Lett (1984) 25, 865
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 44.9 |
| 2 (CH) | 71.6 |
| 3 (CH) | 73.2 |
| 4 (C) | 42.4 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.7 |
| 10 (C) | 27.3 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.6 |
| 13 (C) | 145.1 |
| 14 (C) | 42.3 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.8 |
| 17 (C) | 48.9 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 47.2 |
| 20 (C) | 31 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 32.8 |
| 23 (CH2) | 67.8 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 27.2 |
| 28 (C) | 180 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 24.8 |
