Spektraris NMR
(3b,4b.11a.12a.13b)-11,12-Epoxy,13-dihydroxy-3.23-(isopropylidenedioxy)-30-norolean-20(29)-en-28-oic Acid 28,13-Lactone
Common Name: (3b,4b.11a.12a.13b)-11,12-Epoxy,13-dihydroxy-3.23-(isopropylidenedioxy)-30-norolean-20(29)-en-28-oic Acid 28,13-Lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=XUOFYJKRVBHVBO-JYRBIGNMSA-N
Formula: C32H46O5
Molecular Weight: 510.705848
Exact Mass: 510.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65
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) | 38.6 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 77.5 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 17 |
| 7 (CH2) | 30.8 |
| 8 (C) | 40.7 |
| 9 (CH) | 51.1 |
| 10 (C) | 36.9 |
| 11 (CH) | 52.6 |
| 12 (CH) | 57 |
| 13 (C) | 86.6 |
| 14 (C) | 41.6 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 21.7 |
| 17 (C) | 43.9 |
| 18 (CH) | 54.6 |
| 19 (CH2) | 34.4 |
| 20 (C) | 146.1 |
| 21 (CH2) | 31.8 |
| 22 (CH2) | 30 |
| 23 (CH2) | 72.3 |
| 24 (CH3) | 12 |
| 25 (CH3) | 18.5 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 20.1 |
| 28 (C) | 178.3 |
| 29 (CH2) | 110.1 |
| 3a (C) | 99 |
| 3aa (CH3) | 29.9 |
| 3ab (CH3) | 19.3 |
