Spektraris NMR
(3b)-3-hydroxy-18(13-->12b)-abeo-lanosta-13(17),24-dien-18-oic acid
Common Name: (3b)-3-hydroxy-18(13-->12b)-abeo-lanosta-13(17),24-dien-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)9-8-10-19(3)20-13-15-30(7)22-11-12-24-28(4,5)25(31)14-16-29(24,6)23(22)17-21(26(20)30)27(32)33/h9,19,21-25,31H,8,10-17H2,1-7H3,(H,32,33)/t19-,21-,22-,23+,24+,25+,29-,30+/m1/s1
InChIKey: InChIKey=XXXRQJARRNNBRC-LICDEGENSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Qiao, Y., Zhang, M.M., Dong, X.C., Qiu, M.H. Helv Chim Acta (2006) 89, 1038-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Abeo-Lanostanes; 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) | 34.07 |
| 2 (CH2) | 28.51 |
| 3 (CH) | 78.34 |
| 4 (C) | 39.42 |
| 5 (CH) | 52.35 |
| 6 (CH2) | 19.12 |
| 7 (CH2) | 22.54 |
| 8 (CH) | 51.24 |
| 9 (CH) | 44.93 |
| 10 (C) | 35.7 |
| 11 (CH2) | 27.06 |
| 12 (CH) | 48.95 |
| 13 (C) | 145.21 |
| 14 (C) | 47.85 |
| 15 (CH2) | 33.77 |
| 16 (CH2) | 31.27 |
| 17 (C) | 137.33 |
| 18 (C) | 179.17 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 35.4 |
| 21 (CH3) | 18.58 |
| 22 (CH2) | 35.1 |
| 23 (CH2) | 23.19 |
| 24 (CH) | 125.6 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.76 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.67 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 26.68 |
