Spektraris NMR
Dehydroeburiconic acid
Common Name: Dehydroeburiconic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,29-,30-,31+/m1/s1
InChIKey: InChIKey=DVXFDXIVWQWLIU-DIQRFASRSA-N
Formula: C31H46O3
Molecular Weight: 466.696302
Exact Mass: 466.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 39, 1165-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.8 |
| 2 (CH2) | 34.9 |
| 3 (C) | 215 |
| 4 (C) | 47.4 |
| 5 (CH) | 51 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 120.7 |
| 8 (C) | 142.9 |
| 9 (C) | 144.9 |
| 10 (C) | 37.5 |
| 11 (CH) | 117.7 |
| 12 (CH2) | 36 |
| 13 (C) | 44.2 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 48.1 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 22 |
| 20 (CH) | 49 |
| 21 (C) | 178.3 |
| 22 (CH2) | 31.7 |
| 23 (CH2) | 32.7 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 25.6 |
| 24a (CH2) | 107 |
