Spektraris NMR
Domesticulide B
Common Name: Domesticulide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-16-19(8-12-28(6)24(18-10-13-36-15-18)38-21(32)14-29(16,28)34)27(5)11-9-20(31)26(3,4)23(27)22(25(33)35-7)37-17(2)30/h9-11,13,15,19,22-24,34H,1,8,12,14H2,2-7H3/t19-,22?,23-,24-,27+,28-,29-/m0/s1
InChIKey: InChIKey=VTJUVXVINSZWCE-CREGCKNISA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Saewan, N., Sutherland, J.D., Chantrapromma, K. Phytochemistry (2006) 67, 2288-93
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 153.9 |
| 2 (CH) | 125.5 |
| 3 (C) | 203.9 |
| 4 (C) | 46.5 |
| 5 (CH) | 47.6 |
| 6 (CH) | 71.1 |
| 7 (C) | 171.3 |
| 8 (C) | 145.6 |
| 9 (CH) | 47.3 |
| 10 (C) | 44.5 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 27.5 |
| 13 (C) | 39.6 |
| 14 (C) | 72.7 |
| 15 (CH2) | 39.5 |
| 16 (C) | 170.8 |
| 17 (CH) | 79.5 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 19.4 |
| 20 (C) | 120.6 |
| 21 (CH) | 140.3 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 21.3 |
| 30 (CH2) | 118.6 |
| 6a (C) | 169.9 |
| 6b (CH3) | 20.9 |
| 7a (CH3) | 53 |
