Spektraris NMR
25-Hydroxyporicoic acid H
Common Name: 25-Hydroxyporicoic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h20-21,24,26,32,37H,1,3,9-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20-,21+,24-,26+,29+,30-,31+/m1/s1
InChIKey: InChIKey=ZUQVIKQNZXSXML-MHJHVFNMSA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
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) | 33.6 |
| 2 (CH2) | 30.4 |
| 3 (C) | 176.6 |
| 4 (C) | 147.9 |
| 5 (CH) | 47 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 26.3 |
| 8 (C) | 139.3 |
| 9 (C) | 129.9 |
| 10 (C) | 40.7 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 29.9 |
| 13 (C) | 46.1 |
| 14 (C) | 49.8 |
| 15 (CH2) | 43.8 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.3 |
| 18 (CH3) | 18 |
| 19 (CH3) | 22.5 |
| 20 (CH) | 48.8 |
| 21 (C) | 178.2 |
| 22 (CH2) | 32.5 |
| 23 (CH2) | 30.1 |
| 24 (C) | 158.1 |
| 25 (C) | 72.6 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 30.1 |
| 28 (CH2) | 114.2 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 26.3 |
| 24a (CH2) | 107 |
