Spektraris NMR
Calenduladiol
Common Name: Calenduladiol
Synonyms: Calenduladiol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=AJBZENLMTKDAEK-SKESNUHASA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert E., Baddeley G.V., Burfitt I.R., Moreno L.N Org Magn Reson (1978) 11, 337
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) | 38.9 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41 |
| 9 (CH) | 50 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 37.3 |
| 14 (C) | 44.1 |
| 15 (CH2) | 36.9 |
| 16 (CH) | 76.9 |
| 17 (C) | 48.6 |
| 18 (CH) | 47.7 |
| 19 (CH) | 47.6 |
| 20 (C) | 149.8 |
| 21 (CH2) | 30 |
| 22 (CH2) | 37.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 11.8 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.4 |
