Spektraris NMR
3b-Acetoxy-21 (22)-hopen-30-oic-acid
Common Name: 3b-Acetoxy-21 (22)-hopen-30-oic-acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(27(34)35)21-11-15-29(5)22(21)12-17-31(7)24(29)9-10-25-30(6)16-14-26(36-20(2)33)28(3,4)23(30)13-18-32(25,31)8/h22-26H,9-18H2,1-8H3,(H,34,35)/b21-19+/t22-,23-,24+,25+,26-,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=JHOFACDAPJIZGK-NXWUBVMWSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
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) | 32.7 |
| 2 (CH2) | 21.7 |
| 3 (CH) | 75.7 |
| 4 (C) | 36.1 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 31.8 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 47.6 |
| 14 (C) | 41.4 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 19.1 |
| 17 (CH) | 55.2 |
| 18 (C) | 44.9 |
| 19 (CH2) | 37.7 |
| 20 (CH2) | 28.3 |
| 21 (C) | 144.1 |
| 22 (C) | 120.3 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 23.1 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 14.3 |
| 29 (CH3) | 17.2 |
| 30 (C) | 171.5 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.3 |
