Spektraris NMR
Anhydrochiisanogenoic acid
Common Name: Anhydrochiisanogenoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-16(2)17-8-11-30(25(34)35)13-12-27(5)18(23(17)30)14-19(31)24-28(27,6)10-9-20-26(3,4)36-21(15-22(32)33)29(20,24)7/h17-21,23-24,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19+,20-,21+,23+,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=PHOGNUDVWZJXJN-YZULJCTESA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kasai R., Matsumoto K., Taniyasu S., Tanaka O., Kim j.H., Hahn D.R. Chem Pharm Bull (1986) 34, 3284
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) | 87.5 |
| 2 (CH2) | 37 |
| 3 (C) | 175.4 |
| 4 (C) | 79.1 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.6 |
| 8 (C) | 42.7 |
| 9 (CH) | 56.2 |
| 10 (C) | 46.9 |
| 11 (CH) | 67.7 |
| 12 (CH2) | 38.9 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 32.8 |
| 17 (C) | 56.6 |
| 18 (CH) | 47.6 |
| 19 (CH) | 49.5 |
| 20 (C) | 150.9 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 25 |
| 24 (CH3) | 32.8 |
| 25 (CH3) | 19.3 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 15.2 |
| 28 (C) | 178.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.5 |
