Spektraris NMR
Kuguacin B
Common Name: Kuguacin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-16(13-17(2)29)18-9-10-26(6)23-21(30)14-20-19(7-8-22(31)24(20,3)4)27(23,15-28)12-11-25(18,26)5/h14-16,18-19,22-23,31H,7-13H2,1-6H3/t16-,18-,19-,22+,23+,25-,26+,27-/m1/s1
InChIKey: InChIKey=NBODFSYIUFTBQG-CZNZDDFTSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
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) | 22.5 |
| 2 (CH2) | 29.6 |
| 3 (CH) | 75.6 |
| 4 (C) | 43.4 |
| 5 (C) | 169.3 |
| 6 (CH) | 126.9 |
| 7 (C) | 199 |
| 8 (CH) | 52 |
| 9 (C) | 51.1 |
| 10 (CH) | 39.2 |
| 11 (CH2) | 23 |
| 12 (CH2) | 29.1 |
| 13 (C) | 45.4 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.1 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50 |
| 18 (CH3) | 14.8 |
| 19 (CH) | 204.7 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 20 |
| 22 (CH2) | 50.8 |
| 23 (C) | 208.1 |
| 24 (CH3) | 30.4 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 25.6 |
| 30 (CH3) | 18.5 |
