Spektraris NMR
(25s,3'S)-(+)-12a-hydroxy-3a-(3'-hydroxy-4'-methoxycarbonyl-3'methylbutyryloxy)-24-methyllanosta-8,2
Common Name: (25s,3'S)-(+)-12a-hydroxy-3a-(3'-hydroxy-4'-methoxycarbonyl-3'methylbutyryloxy)-24-methyllanosta-8,2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O8/c1-22(24(3)33(42)43)11-12-23(2)25-15-18-37(8)26-13-14-28-34(4,5)30(46-32(41)21-35(6,44)20-31(40)45-10)16-17-36(28,7)27(26)19-29(39)38(25,37)9/h23-25,28-30,39,44H,1,11-21H2,2-10H3,(H,42,43)/t23-,24+,25-,28+,29+,30-,35+,36-,37+,38+/m1/s1
InChIKey: InChIKey=JJYYLQGYXTZKMO-SLZMFQOSSA-N
Formula: C38H60O8
Molecular Weight: 644.879649
Exact Mass: 644.428819
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Asanoma, M., Shibata, H., Hirota, M. J Nat Prod (2003) 66, 1104-6
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) | 30.6 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 78.6 |
| 4 (C) | 36.7 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 18 |
| 7 (CH2) | 26 |
| 8 (C) | 134.8 |
| 9 (C) | 132.9 |
| 10 (C) | 36.7 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 73.3 |
| 13 (C) | 49.6 |
| 14 (C) | 49.7 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 17.8 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 31.9 |
| 24 (C) | 148.3 |
| 25 (CH) | 45.5 |
| 26 (C) | 179.5 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.5 |
| 3a (C) | 171.9 |
| 3b (CH2) | 45.2 |
| 3c (C) | 69.8 |
| 3d (CH2) | 44.8 |
| 3e (C) | 172 |
| 3aa (CH3) | 27.3 |
| 3ab (CH3) | 51.7 |
| 24a (CH2) | 111.3 |
