Spektraris NMR
Hovetrichoside H
Common Name: Hovetrichoside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O12/c1-16(2)17-9-12-35(31(46)48-29-26(40)25(39)24(38)19(15-37)47-29)13-14-36(30(44)45)18(22(17)35)7-8-21-33(36,5)11-10-20-32(3,4)27(41)23(28(42)43)34(20,21)6/h17-27,29,37-41H,1,7-15H2,2-6H3,(H,42,43)(H,44,45)/t17-,18+,19+,20?,21-,22+,23+,24+,25-,26+,27-,29-,33+,34-,35-,36+/m0/s1
InChIKey: InChIKey=BYLFJKWGLXIRHU-CQCIXKHCSA-N
Formula: C36H54O12
Molecular Weight: 678.808152
Exact Mass: 678.361527
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Kondo, Y., Kimura, E., Arihara, S. Phytochemistry (1998) 49, 2057-60
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 67.2 |
| 2 (C) | 178.3 |
| 3 (CH) | 84.8 |
| 4 (C) | 43.9 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33.7 |
| 8 (C) | 41.8 |
| 9 (CH) | 46.3 |
| 10 (C) | 50.2 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 27 |
| 13 (CH) | 40.5 |
| 14 (C) | 60.5 |
| 15 (CH2) | 28.9 |
| 16 (CH2) | 34.9 |
| 17 (C) | 57.2 |
| 18 (CH) | 52.5 |
| 19 (CH) | 47.7 |
| 20 (C) | 150.8 |
| 21 (CH2) | 31 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 20.5 |
| 24 (CH3) | 31.6 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 18.2 |
| 27 (C) | 178.9 |
| 28 (C) | 175.6 |
| 29 (CH2) | 110.5 |
| 30 (CH3) | 19.6 |
| 1' (CH) | 95.6 |
| 2' (CH) | 74.5 |
| 3' (CH) | 79 |
| 4' (CH) | 71.2 |
| 5' (CH) | 79.6 |
| 6' (CH2) | 62.3 |
