Spektraris NMR
Hippochromin B diacetate
Common Name: Hippochromin B diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O5/c1-16-9-8-11-24(4,17(16)2)13-14-25(5)12-10-19-22(29-18(3)26)20(27-6)15-21(28-7)23(19)30-25/h10,12,15-16H,2,8-9,11,13-14H2,1,3-7H3/t16-,24-,25-/m1/s1
InChIKey: InChIKey=KWPUCJVPYXFYJR-YSTXUQMKSA-N
Formula: C25H34O5
Molecular Weight: 414.535408
Exact Mass: 414.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chen, C.Y., Kuo, Y.H. J Nat Prod (2001) 64, 801-3
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Miscellanea; 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) | 38.7 |
| 2 (CH2) | 21.9 |
| 3 (CH2) | 35.2 |
| 4 (CH) | 33.9 |
| 5 (C) | 159.5 |
| 6 (C) | 34 |
| 7 (CH2) | 37.2 |
| 8 (CH2) | 34.8 |
| 9 (C) | 78.7 |
| 10 (CH) | 131.9 |
| 11 (CH) | 116.9 |
| 12 (CH3) | 19.6 |
| 13 (CH2) | 103.7 |
| 14 (CH3) | 24.9 |
| 15 (CH3) | 26 |
| 1' (C) | 116 |
| 2' (C) | 132 |
| 3' (C) | 146.1 |
| 4' (CH) | 99.8 |
| 5' (C) | 144.5 |
| 6' (C) | 136.8 |
| 2'a (C) | 169.1 |
| 2'b (CH3) | 20.5 |
| 3'a (CH3) | 56.8 |
| 5'a (CH3) | 57.2 |
