Spektraris NMR
3b-Acetoxy-11-ursen-13a,30-olide
Common Name: 3b-Acetoxy-11-ursen-13a,30-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O4/c1-19-21-9-13-28(5)17-18-31(8)30(7)15-10-22-27(3,4)24(35-20(2)33)12-14-29(22,6)23(30)11-16-32(31,25(19)28)36-26(21)34/h11,16,19,21-25H,9-10,12-15,17-18H2,1-8H3/t19-,21-,22+,23-,24+,25?,28-,29+,30-,31+,32-/m1/s1
InChIKey: InChIKey=SRUJVPRJIUIPMG-OZXKGKGKSA-N
Formula: C32H48O4
Molecular Weight: 496.722325
Exact Mass: 496.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka N., Duan H., Takaishi Y., Kawazoe K., Goto S. Phytochemistry (2002) 61, 93-8
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) | 38.1 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 80.7 |
| 4 (C) | 37.9 |
| 5 (CH) | 55 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 31.4 |
| 8 (C) | 41.8 |
| 9 (CH) | 53 |
| 10 (C) | 36.4 |
| 11 (CH) | 133.4 |
| 12 (CH) | 129 |
| 13 (C) | 89.7 |
| 14 (C) | 42 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 30.9 |
| 17 (C) | 45.2 |
| 18 (CH) | 40.4 |
| 19 (CH) | 38.2 |
| 20 (CH) | 60.7 |
| 21 (CH2) | 22.9 |
| 22 (CH2) | 31.3 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 19.2 |
| 26 (CH3) | 19 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 18.1 |
| 29 (CH3) | 17.9 |
| 30 (C) | 179.9 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.4 |
