Spektraris NMR
Serratagenic acid
Common Name: Serratagenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)31)8-7-18-19-17-26(3,23(32)33)13-15-30(19,24(34)35)16-14-28(18,29)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22-,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=MCHKKYSPJGWAHQ-PGUYSIQDSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kasai R., Oinaka T., Yang C. R., Zhou J., Tanaka. Chem Pharm Bull (1987) 35, 1486-90
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) | 38.9 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.2 |
| 8 (C) | 39.7 |
| 9 (CH) | 48 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.2 |
| 13 (C) | 144.3 |
| 14 (C) | 42.5 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.6 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 41.1 |
| 20 (C) | 42.2 |
| 21 (CH2) | 29.4 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.1 |
| 28 (C) | 180 |
| 29 (C) | 181.2 |
| 30 (CH3) | 20 |
