Spektraris NMR
3b-Hydroxy-21 (22)-hopen-30-oic-acid
Common Name: 3b-Hydroxy-21 (22)-hopen-30-oic-acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(25(32)33)19-10-14-27(4)20(19)11-16-29(6)22(27)8-9-23-28(5)15-13-24(31)26(2,3)21(28)12-17-30(23,29)7/h20-24,31H,8-17H2,1-7H3,(H,32,33)/b19-18+/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=KIVISOULJLPNBV-GWLJRELHSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ye, G., Peng, H., Fan, M., Huang, C. Biochem Syst Ecol (2007) 35, 905-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 32.9 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 73.7 |
| 4 (C) | 37.1 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 31.9 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 47.5 |
| 14 (C) | 41.4 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 19.2 |
| 17 (CH) | 55.1 |
| 18 (C) | 44.7 |
| 19 (CH2) | 37.8 |
| 20 (CH2) | 28.1 |
| 21 (C) | 144.3 |
| 22 (C) | 120.1 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 14.4 |
| 29 (CH3) | 17.1 |
| 30 (C) | 171.7 |
