Spektraris NMR
SCHEMBL14119531
Common Name: SCHEMBL14119531
Synonyms: SCHEMBL14119531
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,20,23-26,31-33H,8,10-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1
InChIKey: InChIKey=HKIBKQWDSLOKON-LNISQLTRSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Shen, Y.C., Wang, Y.H., Lin, L.C., Don, M.J., Liou, K.T., Wang, W.Y., Hou, Y.C., Chang, T.T. Planta Med (2006) 72, 199-203
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.2 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 27.8 |
| 8 (C) | 135.1 |
| 9 (C) | 135.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 31.7 |
| 13 (C) | 45.3 |
| 14 (C) | 52.4 |
| 15 (CH) | 72.6 |
| 16 (CH2) | 39.9 |
| 17 (CH) | 43.8 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 44.1 |
| 21 (CH2) | 62 |
| 22 (CH2) | 30.7 |
| 23 (CH2) | 25.5 |
| 24 (CH) | 126.1 |
| 25 (C) | 130.8 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 18.2 |
