Spektraris NMR
Lantabetulic acid (benulin)
Common Name: Lantabetulic acid (benulin)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(2)19-9-12-28(24(31)32)14-13-26(5)20(23(19)28)7-8-22-27(26,6)11-10-21-25(3,4)30(33)16-15-29(21,22)17-34-30/h19-23,33H,1,7-17H2,2-6H3,(H,31,32)/t19-,20+,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=KYHMRXXFJAZYRF-QZDHPUAMSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Bagchi A., Sahai M., Sinha S.C., Ray A.B., Oshima Y., Hikino H. J Chem Res (1985) 0, 398
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 (CH2) | 30.5 |
| 2 (CH2) | 35.9 |
| 3 (C) | 97.9 |
| 4 (C) | 35.6 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40 |
| 9 (CH) | 45.6 |
| 10 (C) | 40.7 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 38.7 |
| 14 (C) | 42.4 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 32.6 |
| 17 (C) | 56.6 |
| 18 (CH) | 47.5 |
| 19 (CH) | 49.4 |
| 20 (C) | 151.1 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 19.5 |
| 25 (CH2) | 67.7 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 14.5 |
| 28 (C) | 178.7 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.5 |
