Spektraris NMR
Bulbineloneside B
Common Name: Bulbineloneside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O12/c1-9-6-13(31)20-22(23(34)11-4-3-5-12(30)19(11)26(20)37)17(9)21-16(7-14(32)18(10(2)29)25(21)36)40-28-27(38)24(35)15(33)8-39-28/h3-7,15,24,27-28,30-33,35-36,38H,8H2,1-2H3/t15-,24+,27-,28+/m1/s1
InChIKey: InChIKey=CDSKQDYWXLYLCQ-UCKGPBDVSA-N
Formula: C28H24O12
Molecular Weight: 552.484042
Exact Mass: 552.126776
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) | 124.5 |
| 3 (C) | 151 |
| 4 (C) | 128.1 |
| 4a (C) | 131.3 |
| 5 (CH) | 119.1 |
| 6 (CH) | 137.3 |
| 7 (CH) | 123.5 |
| 8 (C) | 160.7 |
| 8a (C) | 115.4 |
| 9 (C) | 192 |
| 9a (C) | 114.6 |
| 10 (C) | 181.9 |
| 10a (C) | 134.2 |
| 11 (CH3) | 20.3 |
| 1' (C) | 108.3 |
| 2' (C) | 162.5 |
| 3' (CH) | 104.8 |
| 4' (C) | 161.3 |
| 5' (C) | 93.7 |
| 6' (C) | 159.8 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 69.2 |
| 5'' (CH2) | 65.9 |
| 5'a (C) | 203.1 |
| 5'b (CH3) | 33.1 |
