Spektraris NMR
Hovenic acid
Common Name: Hovenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(2)18-9-12-30(25(34)35)14-13-28(5)19(23(18)30)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,22+,23+,24-,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=BHOYLWIIJSSSSI-STNOFSRUSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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 (CH2) | 48.3 |
| 2 (CH) | 69.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 43.8 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 51.1 |
| 10 (C) | 38.7 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 38.7 |
| 14 (C) | 43 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 33 |
| 17 (C) | 56.7 |
| 18 (CH) | 49.8 |
| 19 (CH) | 47.8 |
| 20 (C) | 151.3 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 37.7 |
| 23 (CH2) | 66.5 |
| 24 (CH3) | 14.3 |
| 25 (CH3) | 18.3 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 15 |
| 28 (C) | 178.9 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.6 |
