Spektraris NMR
Hyptadienic acid
Common Name: Hyptadienic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18-10-13-30(24(32)33)15-14-26(4)20(23(30)29(18,7)34)8-9-22-27(26,5)12-11-21-25(2,3)16-19(17-31)28(21,22)6/h8,16,18,21-23,31,34H,9-15,17H2,1-7H3,(H,32,33)/t18-,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=YFLYOZWZPSYMPX-DCLYBNOZSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Taniguchi, S., Imayoshi, Y., Kobayashi, E., Takamatsu, Y., Ito, H., Hatano, T., Sakagami, H., Tokuda, H., Nishino, H., Sugita, D., Shimura, S., Yoshida, T. Phytochemistry (2002) 59, 315-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 60.8 |
| 2 (C) | 156.8 |
| 3 (CH) | 133.6 |
| 4 (C) | 42 |
| 5 (CH) | 63.7 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 34.6 |
| 8 (C) | 42.4 |
| 9 (CH) | 42.5 |
| 10 (C) | 50.9 |
| 11 (CH2) | 27 |
| 12 (CH) | 128.2 |
| 13 (C) | 140.2 |
| 14 (C) | 42.4 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 27.1 |
| 17 (C) | 48.3 |
| 18 (CH) | 54.8 |
| 19 (C) | 72.7 |
| 20 (CH) | 43.7 |
| 21 (CH2) | 26.4 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 30.1 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 19 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 25.4 |
| 28 (C) | 180.7 |
| 29 (CH3) | 27.2 |
| 30 (CH3) | 16.7 |
