Spektraris NMR
cyclamiretin D
Common Name: cyclamiretin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)21-9-12-28(5)22(27(21,4)11-10-23(25)33)8-7-19-20-15-26(3,17-31)13-14-30(20,18-32)24(34)16-29(19,28)6/h7,17,20-24,32-34H,8-16,18H2,1-6H3/t20-,21-,22+,23-,24+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=QKTVVYNZVLXBAT-TVFWEJSYSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pal B. C., Roy G., Mahato S. B. Phytochemistry (1984) 23, 1475
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.9 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 77.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.8 |
| 8 (C) | 39.6 |
| 9 (CH) | 47 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.5 |
| 13 (C) | 144 |
| 14 (C) | 41.4 |
| 15 (CH2) | 34.3 |
| 16 (CH) | 73.3 |
| 17 (C) | 40 |
| 18 (CH) | 43.2 |
| 19 (CH2) | 30.7 |
| 20 (C) | 46.7 |
| 21 (CH2) | 29.5 |
| 22 (CH2) | 27.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 27.2 |
| 28 (CH2) | 69.7 |
| 29 (CH3) | 23.8 |
| 30 (CH) | 207.6 |
