Spektraris NMR
SCHEMBL4104338
Common Name: SCHEMBL4104338
Synonyms: SCHEMBL4104338
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h21-26,31H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25+,26-,28-,29+,30-/m1/s1
InChIKey: InChIKey=ANNIBMZPMMREFD-SBMHKAGSSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mishra, M., Shukla, Y.N., Kumar, S. Phytochemistry (2000) 54, 835-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 35.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 38 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 38.8 |
| 9 (CH) | 48 |
| 10 (C) | 42.8 |
| 11 (CH2) | 25.1 |
| 12 (CH2) | 34.3 |
| 13 (C) | 43 |
| 14 (C) | 48.3 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 29.7 |
| 17 (CH) | 55.3 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 35.6 |
| 21 (CH3) | 19.3 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 28 |
| 24 (CH2) | 37.2 |
| 25 (C) | 151 |
| 26 (CH2) | 109.3 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 14.5 |
| 29 (CH3) | 25.1 |
| 30 (CH3) | 18 |
