Spektraris NMR
30-(4'-Hydroxybenzoyloxy)-11b-hydroxylupane-20(29)-en-3-one
Common Name: 30-(4'-Hydroxybenzoyloxy)-11b-hydroxylupane-20(29)-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H52O5/c1-22(21-42-32(41)23-8-10-24(38)11-9-23)25-12-15-34(4)18-19-36(6)26(30(25)34)20-27(39)31-35(5)16-14-29(40)33(2,3)28(35)13-17-37(31,36)7/h8-11,25-28,30-31,38-39H,1,12-21H2,2-7H3/t25-,26+,27+,28-,30+,31+,34+,35-,36+,37+/m0/s1
InChIKey: InChIKey=WDFWQGCNPVLXKK-DJDCUENXSA-N
Formula: C37H52O5
Molecular Weight: 576.807172
Exact Mass: 576.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feng, X., Gao, Z., Li, S., Jones, S.H., Hecht, S.M. J Nat Prod (2004) 67, 1744-7
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) | 39 |
| 2 (CH2) | 34.4 |
| 3 (C) | 219 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 34.5 |
| 8 (C) | 42.3 |
| 9 (CH) | 55 |
| 10 (C) | 37.4 |
| 11 (CH) | 70.7 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43.3 |
| 18 (CH) | 47.9 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.4 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 40 |
| 23 (CH3) | 24 |
| 24 (CH3) | 21 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18.3 |
| 29 (CH2) | 110.2 |
| 30 (CH2) | 68.4 |
| 1' (C) | 168 |
| 2' (C) | 132.7 |
| 3' (CH) | 129 |
| 4' (CH) | 131.1 |
| 5' (C) | 150.4 |
| 6' (CH) | 131.1 |
| 7' (CH) | 129 |
