Spektraris NMR
Kuguacin A
Common Name: Kuguacin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-19(9-8-13-26(2,3)34)20-12-14-29(7)25-23(32)17-22-21(10-11-24(33)27(22,4)5)30(25,18-31)16-15-28(20,29)6/h8,13,17-21,24-25,33-34H,9-12,14-16H2,1-7H3/b13-8+/t19-,20-,21-,24+,25+,28-,29+,30-/m1/s1
InChIKey: InChIKey=HJGYRKQQQWEVSH-XPWZOVIKSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
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) | 21.6 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 76.1 |
| 4 (C) | 43.6 |
| 5 (C) | 168.1 |
| 6 (CH) | 127.1 |
| 7 (C) | 199.4 |
| 8 (CH) | 51.2 |
| 9 (C) | 51.2 |
| 10 (CH) | 37.9 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 28.4 |
| 13 (C) | 45.3 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 14.9 |
| 19 (CH) | 203.4 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 39 |
| 23 (CH) | 124.9 |
| 24 (CH) | 139.8 |
| 25 (C) | 70.7 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 30 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 18.3 |
