Spektraris NMR
(13alpha,17S,24E)-3alpha,23-Dihydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid methyl ester
Common Name: (13alpha,17S,24E)-3alpha,23-Dihydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid methyl ester
Synonyms: (13alpha,17S,24E)-3alpha,23-Dihydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-19(27(34)35-8)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(33)13-14-29(25,5)23(22)11-16-31(24,30)7/h12,17,20-21,25-26,32-33H,9-11,13-16,18H2,1-8H3/b19-17+/t20-,21?,25+,26-,29-,30+,31-/m1/s1
InChIKey: InChIKey=DSRXFFLSYVPYKU-DGHFVMDBSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
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 : Friedolanostanes; 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) | 30.1 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.6 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 26.7 |
| 8 (C) | 122.8 |
| 9 (C) | 144.5 |
| 10 (C) | 37.8 |
| 11 (CH2) | 39.2 |
| 12 (CH2) | 25.6 |
| 13 (C) | 48 |
| 14 (C) | 148.8 |
| 15 (CH) | 115.8 |
| 16 (CH2) | 45.5 |
| 17 (C) | 50 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 17.1 |
| 20 (CH) | 33.4 |
| 21 (CH3) | 15.2 |
| 22 (CH2) | 22.7 |
| 23 (CH) | 65.8 |
| 24 (CH) | 142.3 |
| 25 (C) | 127 |
| 26 (C) | 168.5 |
| 27 (CH3) | 12.7 |
| 28 (CH3) | 28 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 18.9 |
| 26a (CH3) | 51.9 |
