Spektraris NMR
(E)-25-hydroperoxydammar-23-ene-3ˇ,20-diol
Common Name: (E)-25-hydroperoxydammar-23-ene-3ˇ,20-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-25(2,34-33)15-9-16-30(8,32)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-24,31-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=VNMYLOSUYWAAHM-XVGAYARYSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cysne Jde, B., Braz-Filho, R., Assuncao, M.V., Uchoa, D.E., Silveira, E.R., Pessoa, O.D. Magn Reson Chem (2006) 44, 641-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.19 |
| 2 (CH2) | 27.37 |
| 3 (CH) | 78.95 |
| 4 (C) | 38.96 |
| 5 (CH) | 55.83 |
| 6 (CH2) | 18.49 |
| 7 (CH2) | 35.43 |
| 8 (C) | 40.36 |
| 9 (CH) | 40.36 |
| 10 (C) | 37.11 |
| 11 (CH2) | 21.72 |
| 12 (CH2) | 24.87 |
| 13 (CH) | 42.69 |
| 14 (C) | 50.29 |
| 15 (CH2) | 31.35 |
| 16 (CH2) | 27.49 |
| 17 (CH) | 50.31 |
| 18 (CH3) | 16.41 |
| 19 (CH3) | 16.19 |
| 20 (C) | 75.09 |
| 21 (CH3) | 25.93 |
| 22 (CH2) | 43.36 |
| 23 (CH) | 127.23 |
| 24 (CH) | 137.31 |
| 25 (C) | 82.05 |
| 26 (CH3) | 24.34 |
| 27 (CH3) | 24.68 |
| 28 (CH3) | 28.22 |
| 29 (CH3) | 15.34 |
| 30 (CH3) | 15.47 |
