Spektraris NMR
Kuguacin A
Common Name: Kuguacin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O3/c1-16(14-17(2)28)18-10-11-27(7)23-21(29)15-20-19(8-9-22(30)24(20,3)4)25(23,5)12-13-26(18,27)6/h15-16,18-19,22-23,30H,8-14H2,1-7H3/t16-,18-,19-,22+,23-,25+,26-,27+/m1/s1
InChIKey: InChIKey=IYPOYTOMWGNYHY-QOYGTXLBSA-N
Formula: C27H42O3
Molecular Weight: 414.621596
Exact Mass: 414.313395
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J., Tian, R., Qiu, M., Lu, L., Zheng, Y., Zhang, Z. Phytochemistry (2008) 69, 1043
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 20.8 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 76.7 |
| 4 (C) | 42.8 |
| 5 (C) | 169 |
| 6 (CH) | 125.9 |
| 7 (C) | 202.7 |
| 8 (CH) | 59.7 |
| 9 (C) | 35.8 |
| 10 (CH) | 40.2 |
| 11 (CH2) | 31.2 |
| 12 (CH2) | 29.8 |
| 13 (C) | 45.8 |
| 14 (C) | 48.5 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 28 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 27.8 |
| 20 (CH) | 32.8 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 51.1 |
| 23 (C) | 209.1 |
| 24 (CH3) | 30.5 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 18 |
