Spektraris NMR
3?-hydroxy-12-keto-9(11)-ursen-28,13?-olide
Common Name: 3?-hydroxy-12-keto-9(11)-ursen-28,13?-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-17-8-13-29-15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,34-24(29)33)23(29)18(17)2/h16-19,21,23,31H,8-15H2,1-7H3/t17-,18+,19+,21+,23-,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=LMDYJELRQSENPR-YXAXDDHRSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Song, Y., Wang, Y., Lu, Q., Gao, J., Bi, M., Cheng, Y. Molecules (2007) 12, 2599-604
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) | 28.4 |
| 3 (CH) | 77.6 |
| 4 (C) | 39.9 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.5 |
| 8 (C) | 46.6 |
| 9 (C) | 185.1 |
| 10 (C) | 41.3 |
| 11 (CH) | 122 |
| 12 (C) | 193.3 |
| 13 (C) | 88.4 |
| 14 (C) | 42.9 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 22.7 |
| 17 (C) | 45.6 |
| 18 (CH) | 55.5 |
| 19 (CH) | 37.7 |
| 20 (CH) | 40.5 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 32.1 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 24.9 |
| 26 (CH3) | 30.8 |
| 27 (CH3) | 20.8 |
| 28 (C) | 178.4 |
| 29 (CH3) | 18.7 |
| 30 (CH3) | 19.4 |
