Spektraris NMR
Bulbineloneside A
Common Name: Bulbineloneside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H28O13/c1-10-7-14(34)21-23(24(35)12-5-4-6-13(33)20(12)27(21)38)18(10)22-16(8-15(41-3)19(11(2)32)26(22)37)42-30-29(40)28(39)25(36)17(9-31)43-30/h4-8,17,25,28-31,33-34,36-37,39-40H,9H2,1-3H3/t17-,25-,28+,29-,30-/m1/s1
InChIKey: InChIKey=JLUFNXPBLWPPMS-YXJQTQHRSA-N
Formula: C30H28O13
Molecular Weight: 596.536682
Exact Mass: 596.152991
NMR Solvent: DMSO-d6
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) | 124.7 |
| 3 (C) | 151.4 |
| 4 (C) | 127.6 |
| 4a (C) | 131 |
| 5 (CH) | 119.2 |
| 6 (CH) | 137.3 |
| 7 (CH) | 123.5 |
| 8 (C) | 160.7 |
| 8a (C) | 115.4 |
| 9 (C) | 192 |
| 9a (C) | 114.4 |
| 10 (C) | 181.8 |
| 10a (C) | 134.1 |
| 11 (CH3) | 20.5 |
| 1' (C) | 109.1 |
| 2' (C) | 161.9 |
| 3' (CH) | 106 |
| 4' (C) | 162.1 |
| 5' (C) | 90.9 |
| 6' (C) | 160.6 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 76.9 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 60.8 |
| 4'a (CH3) | 55 |
| 5'a (C) | 203.4 |
| 5'b (CH3) | 33 |
