Spektraris NMR
3beta-Hydroxylanosta-7,9(11),24-trien-21-oic acid
Common Name: 3beta-Hydroxylanosta-7,9(11),24-trien-21-oic acid
Synonyms: 3beta-Hydroxylanosta-7,9(11),24-trien-21-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O3/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/h9,11,14,20-21,24-25,31H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=QFPLAAZRZNKRRY-GIICLEHTSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Akahori, A., Shingu, T. Phytochemistry (1993) 32, 1239-44
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) | 36.4 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78 |
| 4 (C) | 39.3 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 121.2 |
| 8 (C) | 142.8 |
| 9 (C) | 146.6 |
| 10 (C) | 37.8 |
| 11 (CH) | 116.6 |
| 12 (CH2) | 36 |
| 13 (C) | 44.3 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 48.1 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 23 |
| 20 (CH) | 48.9 |
| 21 (C) | 178.5 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.7 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 25.9 |
