Spektraris NMR
Cyathic acid
Common Name: Cyathic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-19(2)22-12-14-31(7)16-17-32(8)23(28(22)31)10-11-25-33(9)24(13-15-34(25,32)29(37)38)30(5,6)26(39-20(3)35)18-27(33)40-21(4)36/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27+,28+,31+,32+,33-,34+/m0/s1
InChIKey: InChIKey=WVURBOYJZCSJDH-OLLNHVSDSA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ayer W.A., Flanagan R.J., Reffstrup T. Tetrahedron (1984) 40, 2069
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) | 78.1 |
| 2 (CH2) | 30 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.7 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 30.2 |
| 8 (C) | 53.9 |
| 9 (CH) | 52.4 |
| 10 (C) | 42.7 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 36.5 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 35.2 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.4 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.4 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 39.6 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 11.9 |
| 26 (C) | 170.5 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 17.7 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.3 |
| 1a (C) | 170.5 |
| 1b (CH3) | 21.7 |
| 3a (C) | 181.3 |
| 3b (CH3) | 21 |
