Spektraris NMR
(24E)-3,4-Secocucurbita-4,24-diene-3,26-dioic acid
Common Name: (24E)-3,4-Secocucurbita-4,24-diene-3,26-dioic acid
Synonyms: (24E)-3,4-Secocucurbita-4,24-diene-3,26-dioic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey: InChIKey=YBIIHHTTWQAQQS-ADEQFILDSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tan, J.W., Dong, Z.J., Liu, J.K. Helv Chim Acta (2000) 83, 3191-7
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) | 22.3 |
| 2 (CH2) | 28.4 |
| 3 (C) | 177.2 |
| 4 (C) | 122.9 |
| 5 (C) | 133.5 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 43.7 |
| 9 (C) | 37.2 |
| 10 (CH) | 42.7 |
| 11 (CH2) | 32.6 |
| 12 (CH2) | 34.9 |
| 13 (C) | 45.9 |
| 14 (C) | 49 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 50.8 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 30.5 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 34.2 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 144.2 |
| 25 (C) | 128.9 |
| 26 (C) | 170.8 |
| 27 (CH3) | 12 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 17.2 |
