Spektraris NMR
Sandorinic acid C
Common Name: Sandorinic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)20-9-8-18-19(28(20,5)11-10-22(25)31)16-23(32)30(7)21-17-27(4,24(33)34)13-12-26(21,3)14-15-29(18,30)6/h20-21,23,32H,8-17H2,1-7H3,(H,33,34)/t20-,21+,23+,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ARUDPAROWGJVLG-FUPYXVGYSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tanaka, T., Koyano, T., Kowithayakorn, T., Fujimoto, H., Okuyama, E., Hayashi, M., Komiyama, K., Ishibashi, M. J Nat Prod (2001) 64, 1243-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) | 35.3 |
| 2 (CH2) | 30.5 |
| 3 (C) | 216.8 |
| 4 (C) | 47 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 27.3 |
| 7 (CH2) | 20.6 |
| 8 (C) | 135.5 |
| 9 (C) | 130.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 34.4 |
| 12 (CH) | 70.6 |
| 13 (C) | 41.4 |
| 14 (C) | 31.2 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 31.8 |
| 17 (C) | 35.2 |
| 18 (CH) | 38 |
| 19 (CH2) | 30.9 |
| 20 (C) | 40.5 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21 |
| 25 (CH3) | 19.3 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 31.6 |
| 29 (C) | 181.8 |
| 30 (CH3) | 33.2 |
