Spektraris NMR
Alisol P
Common Name: Alisol P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1
InChIKey: InChIKey=KKXUNIAWSGXCIU-BFUVOVAVSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
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) | 42.9 |
| 2 (C) | 173.9 |
| 3 (C) | 183.5 |
| 4 (C) | 45.2 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 28.7 |
| 8 (C) | 38.7 |
| 9 (CH) | 52.3 |
| 10 (C) | 38.3 |
| 11 (CH) | 76.7 |
| 12 (CH2) | 30.1 |
| 13 (C) | 136.3 |
| 14 (C) | 56.6 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 29 |
| 17 (C) | 139.2 |
| 18 (CH3) | 21.2 |
| 19 (CH3) | 29.2 |
| 20 (CH) | 28.3 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 39.9 |
| 23 (CH) | 69.6 |
| 24 (CH) | 77.4 |
| 25 (C) | 74.4 |
| 26 (CH3) | 27.2 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 29.7 |
| 29 (CH3) | 20.9 |
| 30 (CH3) | 20.3 |
