Spektraris NMR
CHEMBL1271589
Common Name: CHEMBL1271589
Synonyms: CHEMBL1271589
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(2)18-7-12-30(25(34)35)14-13-28(5)19(23(18)30)15-20(32)24-26(3)10-9-22(33)27(4,16-31)21(26)8-11-29(24,28)6/h16,18-24,32-33H,1,7-15H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,22+,23+,24+,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=XROBZOZQCIQCRT-KTYMJOEPSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chang, S.Y., Yook, C.S., Nohara, T. Phytochemistry (1999) 50, 1369-74
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 35.4 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 73.1 |
| 4 (C) | 53 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 35.6 |
| 8 (C) | 42.9 |
| 9 (CH) | 56 |
| 10 (C) | 39 |
| 11 (CH) | 69.8 |
| 12 (CH2) | 38.3 |
| 13 (CH) | 37.6 |
| 14 (C) | 43.3 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.6 |
| 18 (CH) | 49.4 |
| 19 (CH) | 47.5 |
| 20 (C) | 150.8 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 37.4 |
| 23 (CH) | 210 |
| 24 (CH3) | 15 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 14.8 |
| 28 (C) | 178.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.5 |
