Spektraris NMR
24-Methylenelanosta-8-en-2β,3β,21-triol
Common Name: 24-Methylenelanosta-8-en-2β,3β,21-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-19(2)20(3)9-10-21(18-32)22-13-15-31(8)24-11-12-26-28(4,5)27(34)25(33)17-29(26,6)23(24)14-16-30(22,31)7/h19,21-22,25-27,32-34H,3,9-18H2,1-2,4-8H3/t21?,22-,25+,26+,27+,29-,30-,31+/m1/s1
InChIKey: InChIKey=FZQBDKYUEXGPTH-WRAHYLKPSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lue, Y.P., Mu, Q., Zheng, H.L., Li, C.M. Phytochemistry (1998) 49, 2053-6
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) | 41.3 |
| 2 (CH) | 71.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 38.3 |
| 5 (CH) | 44.6 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 26.4 |
| 8 (C) | 133.8 |
| 9 (C) | 135.3 |
| 10 (C) | 36.5 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 30.7 |
| 13 (C) | 44.3 |
| 14 (C) | 50 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 16 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 43.1 |
| 21 (CH2) | 62.5 |
| 22 (CH2) | 30.6 |
| 23 (CH2) | 27.6 |
| 24 (C) | 156.6 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 24.3 |
| 24a (CH2) | 106.2 |
