Spektraris NMR
Sandorinic acid B
Common Name: Sandorinic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-24(2)20-9-8-18-19(27(20,5)11-10-21(24)31)16-22(32)29(7)28(18,6)15-14-26(4)13-12-25(3,23(33)34)17-30(26,29)35/h8,19-20,22,32,35H,9-17H2,1-7H3,(H,33,34)/t19-,20-,22+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=ZOJYWIDATCZFTE-GLLUEPBVSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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) | 34.5 |
| 2 (CH2) | 34.8 |
| 3 (C) | 215.1 |
| 4 (C) | 47.5 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 117.1 |
| 8 (C) | 147.4 |
| 9 (CH) | 47.2 |
| 10 (C) | 31 |
| 11 (CH2) | 37.9 |
| 12 (CH) | 76.7 |
| 13 (C) | 45.1 |
| 14 (C) | 43.1 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 34.7 |
| 17 (C) | 34.9 |
| 18 (C) | 79.8 |
| 19 (CH2) | 45 |
| 20 (C) | 43.8 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 38.1 |
| 23 (CH3) | 24.5 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 12.6 |
| 26 (CH3) | 28 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 27.8 |
| 29 (C) | 181.8 |
| 30 (CH3) | 35 |
