Spektraris NMR
3b-Hydroxyolean-11-en-28-13-oate
Common Name: 3b-Hydroxyolean-11-en-28-13-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h9,13,19-22,31H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22-,26-,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=VQUPEZXRIUOIJE-LZRJWOMQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Misra, L., Laatsch, H. Phytochemistry (2000) 54, 969-74
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) | 38.9 |
| 2 (CH2) | 27.12 |
| 3 (CH) | 78.81 |
| 4 (C) | 38.21 |
| 5 (CH) | 54.71 |
| 6 (CH2) | 17.62 |
| 7 (CH2) | 34.34 |
| 8 (C) | 41.36 |
| 9 (CH) | 53.16 |
| 10 (C) | 37.29 |
| 11 (CH) | 135.85 |
| 12 (CH) | 126.88 |
| 13 (C) | 89.83 |
| 14 (C) | 41.56 |
| 15 (CH2) | 25.36 |
| 16 (CH2) | 26.97 |
| 17 (C) | 44.02 |
| 18 (CH) | 50.5 |
| 19 (CH2) | 36.31 |
| 20 (C) | 31.11 |
| 21 (CH2) | 33.27 |
| 22 (CH2) | 31.43 |
| 23 (CH3) | 27.73 |
| 24 (CH3) | 14.9 |
| 25 (CH3) | 14.9 |
| 26 (CH3) | 17.62 |
| 27 (CH3) | 18.96 |
| 28 (C) | 180.02 |
| 29 (CH3) | 23.54 |
| 30 (CH3) | 23.54 |
