Spektraris NMR
Anagalligenin B
Common Name: Anagalligenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h19-23,31-33H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=WHQWVKZRZLZDBW-FYZNACKDSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Glombitza K.W., Kurth H. Planta Med (1987) 53, 548
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) | 39.2 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 82.5 |
| 4 (C) | 43.7 |
| 5 (CH) | 48 |
| 6 (CH2) | 18 |
| 7 (CH2) | 31.9 |
| 8 (C) | 42.5 |
| 9 (CH) | 50.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 34.2 |
| 13 (C) | 86.5 |
| 14 (C) | 43.7 |
| 15 (CH2) | 37 |
| 16 (CH) | 77.5 |
| 17 (C) | 44.6 |
| 18 (CH) | 51.6 |
| 19 (CH2) | 39.1 |
| 20 (C) | 31.9 |
| 21 (CH2) | 36.9 |
| 22 (CH2) | 33 |
| 23 (CH2) | 65.1 |
| 24 (CH3) | 13.3 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 19.6 |
| 28 (CH2) | 78 |
| 29 (CH3) | 33.8 |
| 30 (CH3) | 24.8 |
