Spektraris NMR
Wallichianol
Common Name: Wallichianol
Synonyms: Wallichianol
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h19-25,31-32H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=JUBUMMPZVPLSDN-ULVCUVGISA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Zhang, Y., Wang, T., Nakamura, S., Matsuda, H. Chem Pharm Bull (2008) 56, 915-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.7 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 50 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 38 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43 |
| 18 (CH) | 47.2 |
| 19 (CH) | 39.2 |
| 20 (CH) | 37.8 |
| 21 (CH2) | 21.9 |
| 22 (CH2) | 40.6 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 68.4 |
| 30 (CH3) | 10.3 |
