Spektraris NMR
Alisol O
Common Name: Alisol O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(15-23(33)27(4,5)25(34)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-22(32)26(2,3)21(28)10-14-30(24,29)8/h17,20-21,23-24,31,33H,9-16H2,1-8H3,(H,34,35)/t17-,20+,21+,23?,24+,28+,29+,30+/m1/s1
InChIKey: InChIKey=PGOJWGFAHWJYOW-IKZUXBAXSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, M., Xu, L.J., Che, C.T. Phytochemistry (2008) 69, 527-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Protostanes; 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) | 31 |
| 2 (CH2) | 33.7 |
| 3 (C) | 220.2 |
| 4 (C) | 47 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 20 |
| 7 (CH2) | 34.2 |
| 8 (C) | 40.5 |
| 9 (CH) | 49.3 |
| 10 (C) | 37 |
| 11 (CH) | 70 |
| 12 (CH2) | 33.8 |
| 13 (C) | 138.6 |
| 14 (C) | 57 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 28.9 |
| 17 (C) | 134.9 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 25.6 |
| 20 (CH) | 28.4 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 36.3 |
| 23 (CH) | 74.7 |
| 24 (C) | 46.9 |
| 25 (C) | 181.5 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 18.2 |
| 30 (CH3) | 24.2 |
| 24a (CH3) | 20.1 |
| 24b (CH3) | 23.1 |
