Spektraris NMR
Urs-9(11),12-diene-3beta-ol
Common Name: Urs-9(11),12-diene-3beta-ol
Synonyms: Urs-9(11),12-diene-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,24-25,31H,11-18H2,1-8H3/t19-,20+,22+,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=CPSHPTCUXNWYJT-JHYJMQNKSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsunaga S., Tanaka R., Akagi M. Phytochemistry (1988) 27, 535
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 37 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 80.6 |
| 4 (C) | 38.6 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32 |
| 8 (C) | 40.7 |
| 9 (C) | 154.2 |
| 10 (C) | 37.9 |
| 11 (CH) | 115.1 |
| 12 (CH) | 123 |
| 13 (C) | 141.4 |
| 14 (C) | 43.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 26.1 |
| 17 (C) | 33.7 |
| 18 (CH) | 57.3 |
| 19 (CH) | 39 |
| 20 (CH) | 39.3 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 41.4 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 17.4 |
| 25 (CH3) | 17.6 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 21.5 |
