Spektraris NMR
Lantanone
Common Name: Lantanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=UYMVUDWLGIYLKY-LYQIAVTOSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Begum, S., Wahab, A., Siddiqui, B.S., Qamar, F. J Nat Prod (2000) 63, 765-7
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) | 38.7 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 33.3 |
| 8 (C) | 44 |
| 9 (CH) | 62.2 |
| 10 (C) | 37 |
| 11 (C) | 200.2 |
| 12 (CH) | 128.1 |
| 13 (C) | 169.8 |
| 14 (C) | 45.3 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.4 |
| 17 (C) | 46.2 |
| 18 (CH) | 42.4 |
| 19 (CH2) | 44.6 |
| 20 (C) | 30.8 |
| 21 (CH2) | 32.2 |
| 22 (CH2) | 34 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 19.4 |
| 27 (CH3) | 23.6 |
| 28 (C) | 179.7 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 23.4 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.6 |
