Spektraris NMR
3,23-dioxo-cycloart-24-en-26-oic acid
Common Name: 3,23-dioxo-cycloart-24-en-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,21-23H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=PJYWFBGSJPGTAM-ACKRQZOBSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jayasuriya, H., Herath, K.B., Ondeyka, J.G., Guan, Z., Borris, R.P., Tiwari, S., de Jong, W., Chavez, F., Moss, J., Stevenson, D.W., Beck, H.T., Slattery, M., Zamora, N., Schulman, M., Ali, A., Sharma, N., MacNaul, K., Hayes, N., Menke, J.G., Singh, S.B. J Nat Prod (2005) 68, 1247-52
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.5 |
| 2 (CH2) | 37.5 |
| 3 (C) | 216.7 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 47.8 |
| 9 (C) | 21 |
| 10 (C) | 26 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.5 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.5 |
| 20 (CH) | 33.2 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 52.1 |
| 23 (C) | 202.3 |
| 24 (CH) | 134.4 |
| 25 (C) | 139.1 |
| 26 (C) | 171.5 |
| 27 (CH3) | 14 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.3 |
