Spektraris NMR
Bulbineloneside E
Common Name: Bulbineloneside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H34O17/c1-10-6-14(38)23-24(25(41)12-4-3-5-13(37)21(12)28(23)44)19(10)22-15(39)7-17(20(11(2)36)27(22)43)49-33-31(47)32(16(40)9-48-33)51-34-30(46)29(45)26(42)18(8-35)50-34/h3-7,16,18,26,29-35,37-40,42-43,45-47H,8-9H2,1-2H3/t16-,18-,26-,29+,30-,31-,32+,33+,34+/m1/s1
InChIKey: InChIKey=XGCASWJNESGTQB-VYXWDZSFSA-N
Formula: C34H34O17
Molecular Weight: 714.62489
Exact Mass: 714.1796
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuroda, M., Mimaki, Y., Sakagami, H., Sashida, Y. J Nat Prod (2003) 66, 894-7
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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 (C) | 161.3 |
| 2 (CH) | 124.5 |
| 3 (C) | 151 |
| 4 (C) | 128 |
| 4a (C) | 131.2 |
| 5 (CH) | 119.1 |
| 6 (CH) | 137.3 |
| 7 (CH) | 123.5 |
| 8 (C) | 160.7 |
| 8a (C) | 115.5 |
| 9 (C) | 191.9 |
| 9a (C) | 114.6 |
| 10 (C) | 181.9 |
| 10a (C) | 134.1 |
| 11 (CH3) | 20.3 |
| 1' (C) | 108.4 |
| 2' (C) | 162.5 |
| 3' (CH) | 104.7 |
| 4' (C) | 159.5 |
| 5' (C) | 94 |
| 6' (C) | 161.3 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 87.5 |
| 4'' (CH) | 68.1 |
| 5'' (CH2) | 65.2 |
| 1''' (CH) | 104 |
| 2''' (CH) | 73.7 |
| 3''' (CH) | 76 |
| 4''' (CH) | 70.3 |
| 5''' (CH) | 76.9 |
| 6''' (CH2) | 61.2 |
| 5'a (C) | 202.9 |
| 5'b (CH3) | 33 |
