Spektraris NMR
16α, 25-Dihydroxydehydroeburiconic acid
Common Name: 16α, 25-Dihydroxydehydroeburiconic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-23,25,32,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19-,22-,23+,25+,29-,30-,31+/m1/s1
InChIKey: InChIKey=SQDBINMAYPNYDY-IMOFTLGFSA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Nakamura, Y., Tokuda, H., Uchiyama, E., Suzuki, T., Kimura, Y., Uchikura, K., Nishino, H. J Nat Prod (2007) 70, 948-53
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) | 36.7 |
| 2 (CH2) | 34.9 |
| 3 (C) | 215.2 |
| 4 (C) | 47.5 |
| 5 (CH) | 51.1 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 120.5 |
| 8 (C) | 142.9 |
| 9 (C) | 144.7 |
| 10 (C) | 37.5 |
| 11 (CH) | 117.8 |
| 12 (CH2) | 36.2 |
| 13 (C) | 45.1 |
| 14 (C) | 49.3 |
| 15 (CH2) | 44.3 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 22 |
| 20 (CH) | 48.8 |
| 21 (C) | 178.5 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 30 |
| 24 (C) | 158 |
| 25 (C) | 72.6 |
| 26 (CH3) | 30 |
| 27 (CH3) | 30 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 22.4 |
| 30 (CH3) | 26.4 |
| 24a (CH2) | 107 |
