Spektraris NMR
14-Hydroxyhypocretenolide-b-D-glucopyranoside-4',14”-hydroxyhypocretenoate.
Common Name: 14-Hydroxyhypocretenolide-b-D-glucopyranoside-4',14”-hydroxyhypocretenoate.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O13/c1-16-9-24(39)27-22(13-37)7-5-20(11-35(16,27)45)18(3)32(43)48-31-26(14-38)47-34(30(42)29(31)41)46-15-23-8-6-21-12-36(49-33(44)19(21)4)17(2)10-25(40)28(23)36/h9-10,20-21,26,29-31,34,37-38,41-42,45H,3-8,11-15H2,1-2H3/t20-,21-,26-,29-,30-,31-,34-,35+,36+/m1/s1
InChIKey: InChIKey=ZEETYDSXZRFRER-ZGKKBNFYSA-N
Formula: C36H42O13
Molecular Weight: 682.712268
Exact Mass: 682.262541
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Stuppner, H. Phytochemistry (1998) 49, 797-800
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 137.5 |
| 2 (C) | 194.7 |
| 3 (CH) | 135.6 |
| 4 (C) | 171.1 |
| 5 (C) | 90.7 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 38.6 |
| 8 (CH2) | 34.4 |
| 9 (CH2) | 25.8 |
| 10 (C) | 154.6 |
| 11 (C) | 138.7 |
| 12 (C) | 166.9 |
| 13 (CH2) | 130.5 |
| 14 (CH2) | 68.3 |
| 15 (CH3) | 12.7 |
| 1' (CH) | 104.7 |
| 2' (CH) | 76 |
| 3' (CH) | 75.7 |
| 4' (CH) | 72.7 |
| 5' (CH) | 75.3 |
| 6' (CH2) | 62.4 |
| 1'' (C) | 136.2 |
| 2'' (C) | 197.6 |
| 3'' (CH) | 131.8 |
| 4'' (C) | 177.7 |
| 5'' (C) | 79.9 |
| 6'' (CH2) | 40.4 |
| 7'' (CH) | 37.3 |
| 8'' (CH2) | 28.8 |
| 9'' (CH2) | 28.9 |
| 10'' (C) | 153.4 |
| 11'' (C) | 146.5 |
| 12'' (C) | 167.8 |
| 13'' (CH2) | 124.9 |
| 14'' (CH2) | 61.9 |
| 15'' (CH3) | 12.9 |
