Spektraris NMR
Salasone B
Common Name: Salasone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-19(31)9-10-21-27(5)13-14-29(7)22-16-25(2,3)11-12-26(22,4)17-23(33)30(29,8)24(27)20(32)15-28(18,21)6/h18,20-22,24,32H,9-17H2,1-8H3/t18-,20+,21-,22+,24-,26+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=FREDWYXLZMIMQO-YVZDZMARSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Kishi, A., Pongpiriyadacha, Y., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 1191-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 21.8 |
| 2 (CH2) | 41 |
| 3 (C) | 211.9 |
| 4 (CH) | 58.1 |
| 5 (C) | 42.6 |
| 6 (CH2) | 51.5 |
| 7 (CH) | 66.7 |
| 8 (CH) | 49.7 |
| 9 (C) | 38.5 |
| 10 (CH) | 58.9 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 29.4 |
| 13 (C) | 43.6 |
| 14 (C) | 54.6 |
| 15 (C) | 220 |
| 16 (CH2) | 54.3 |
| 17 (C) | 34.7 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 34.5 |
| 20 (C) | 27.9 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 6.9 |
| 24 (CH3) | 16 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 20 |
| 27 (CH3) | 15 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 32.8 |
