Spektraris NMR
3beta-Hydroxy-23-oxo-5alpha-lanosta-9(11),16-diene-26-oic acid
Common Name: 3beta-Hydroxy-23-oxo-5alpha-lanosta-9(11),16-diene-26-oic acid
Synonyms: 3beta-Hydroxy-23-oxo-5alpha-lanosta-9(11),16-diene-26-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h10-11,18-19,23-25,32H,8-9,12-17H2,1-7H3,(H,33,34)/t18-,19?,23-,24+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=MSMIBGMKDUWCSX-OUZBATOFSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Adair, A., Dampawan, P., Taylor, W.C., Turner, P.C. Phytochemistry (2000) 55, 183-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : 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) | 36.1 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 77.4 |
| 4 (C) | 39 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 21 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 39.7 |
| 9 (C) | 149.5 |
| 10 (C) | 39.4 |
| 11 (CH) | 113.9 |
| 12 (CH2) | 31 |
| 13 (C) | 50.7 |
| 14 (C) | 46.4 |
| 15 (CH2) | 40.5 |
| 16 (CH) | 120.1 |
| 17 (C) | 155.4 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 22.1 |
| 20 (CH) | 27.7 |
| 21 (CH3) | 20.9 |
| 22 (CH2) | 49.2 |
| 23 (C) | 207.8 |
| 24 (CH2) | 46.3 |
| 25 (CH) | 34.3 |
| 26 (C) | 177.1 |
| 27 (CH3) | 17 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 19.8 |
