Spektraris NMR
Bulbineloneside D
Common Name: Bulbineloneside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H26O13/c1-9-6-13(33)21-22(23(35)11-4-3-5-12(32)19(11)26(21)38)17(9)20-14(34)7-15(18(10(2)31)25(20)37)41-29-28(40)27(39)24(36)16(8-30)42-29/h3-7,16,24,27-30,32-34,36-37,39-40H,8H2,1-2H3/t16-,24-,27+,28-,29-/m1/s1
InChIKey: InChIKey=AOJYFODHRHWWEN-GQUXZSRASA-N
Formula: C29H26O13
Molecular Weight: 582.510065
Exact Mass: 582.137341
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) | 161.4 |
| 2 (CH) | 124.6 |
| 3 (C) | 151.1 |
| 4 (C) | 128.1 |
| 4a (C) | 131.3 |
| 5 (CH) | 119.1 |
| 6 (CH) | 137.4 |
| 7 (CH) | 123.5 |
| 8 (C) | 160.8 |
| 8a (C) | 115.5 |
| 9 (C) | 192 |
| 9a (C) | 114.7 |
| 10 (C) | 182 |
| 10a (C) | 134.2 |
| 11 (CH3) | 20.4 |
| 1' (C) | 108.3 |
| 2' (C) | 162.5 |
| 3' (CH) | 104.8 |
| 4' (C) | 160 |
| 5' (C) | 93.9 |
| 6' (C) | 161.4 |
| 1'' (CH) | 100.8 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60 |
| 5'a (C) | 203.1 |
| 5'b (CH3) | 33.1 |
