Spektraris NMR
Spathodic acid
Common Name: Spathodic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)13-15-30(24(34)35)16-14-28(5)18(22(30)23(25)33)7-8-20-26(3)11-10-21(32)27(4,17-31)19(26)9-12-29(20,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=TUOYZAJHBIXONX-CGSJAQJOSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngouela N., Nyasse B., Tsamo E., Sondengam B.L., Connolly J.D. Phytochemistry (1990) 29, 3959
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.2 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 78.7 |
| 4 (C) | 41.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.7 |
| 9 (CH) | 47.3 |
| 10 (C) | 36.5 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.1 |
| 13 (C) | 143.4 |
| 14 (C) | 42.1 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 23.4 |
| 17 (C) | 44 |
| 18 (CH) | 43.2 |
| 19 (CH) | 80.1 |
| 20 (C) | 34.9 |
| 21 (CH2) | 28.4 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 22.9 |
| 24 (CH2) | 63 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 24.5 |
| 28 (C) | 179.2 |
| 29 (CH3) | 28.1 |
| 30 (CH3) | 24 |
