Spektraris NMR
8,14-Secooleana-8(26),13-diene-3beta-ol
Common Name: 8,14-Secooleana-8(26),13-diene-3beta-ol
Synonyms: 8,14-Secooleana-8(26),13-diene-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h23-26,31H,2,9-19H2,1,3-8H3/t23-,24-,25-,26-,29-,30+/m0/s1
InChIKey: InChIKey=LWFMCFZBFIZKKX-NBANTFJXSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Guerra-Ramirez, D., Moran, G., Martinez, I., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Torres-Valencia, J.M., Joseph-Nathan, P. Org Lett (2004) 6, 173-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 36.8 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.3 |
| 9 (CH) | 56.9 |
| 10 (C) | 39.5 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 30.8 |
| 13 (C) | 134.3 |
| 14 (C) | 123.5 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 26.4 |
| 17 (C) | 31.5 |
| 18 (CH) | 42.9 |
| 19 (CH2) | 42.9 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 14.5 |
| 26 (CH2) | 106.6 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24.1 |
