Spektraris NMR
Sarmentolin
Common Name: Sarmentolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-24(2)15-16-26(5)17-18-29(8)22(30(26,19-24)33-32)10-9-21-27(6)13-12-23(31)25(3,4)20(27)11-14-28(21,29)7/h10,20-21,32H,9,11-19H2,1-8H3/t20-,21+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=WBPQDZLDWHMOAG-MLTBFBPQSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, A.M., Wang, M.S., Hao, H.Y., Zhang, D.C., Lee, K.H. Phytochemistry (1998) 49, 2607-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.3 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 46.1 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 125.7 |
| 13 (C) | 139.6 |
| 14 (C) | 42.7 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 30.7 |
| 17 (C) | 37.3 |
| 18 (C) | 87.2 |
| 19 (CH2) | 36.6 |
| 20 (C) | 30.9 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 31.5 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 24.5 |
| 28 (CH3) | 20.1 |
| 29 (CH3) | 35.1 |
| 30 (CH3) | 28.3 |
