Spektraris NMR
Lanosta-7,24-dien-21-oic acid, 3-hydroxy-, (3alpha,13alpha,14beta,17alpha,20S)-
Common Name: Lanosta-7,24-dien-21-oic acid, 3-hydroxy-, (3alpha,13alpha,14beta,17alpha,20S)-
Synonyms: Lanosta-7,24-dien-21-oic acid, 3-hydroxy-, (3alpha,13alpha,14beta,17alpha,20S)-
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25+,28+,29-,30+/m0/s1
InChIKey: InChIKey=CGPBVNAIDFBRJG-HVGLGGOPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Guang Yi L., Gray A., Waterman P.G. Phytochemistry (1988) 27, 2283-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 32 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 74.2 |
| 4 (C) | 36.8 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 23.3 |
| 7 (CH) | 117.6 |
| 8 (C) | 145.2 |
| 9 (CH) | 49.1 |
| 10 (C) | 34.1 |
| 11 (CH2) | 16.7 |
| 12 (CH2) | 30.8 |
| 13 (C) | 42.8 |
| 14 (C) | 50.3 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 29.7 |
| 17 (CH) | 47.9 |
| 18 (CH3) | 12.3 |
| 19 (CH3) | 21 |
| 20 (CH) | 47.5 |
| 21 (C) | 177.2 |
| 22 (CH2) | 25.6 |
| 23 (CH2) | 25.4 |
| 24 (CH) | 123.8 |
| 25 (C) | 130.6 |
| 26 (CH3) | 24.6 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 26.3 |
