Spektraris NMR
3-epi-Cabraleahydroxylactone
Common Name: 3-epi-Cabraleahydroxylactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,24+,25-,26-,27+/m1/s1
InChIKey: InChIKey=AHDUWGQSZYSNEY-BWNRNTQFSA-N
Formula: C27H44O3
Molecular Weight: 416.637477
Exact Mass: 416.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Chai, H., Mi, Q., Riswan, S., Kardono, L.B.S., Afriastini, J.J., Santarsiero, B.D., Mesecar, A.D., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. Bioorg Med Chem (2006) 14, 960-72
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.2 |
| 8 (C) | 50.2 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.2 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 21.4 |
| 13 (CH) | 43.2 |
| 14 (C) | 40.4 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 25.1 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16.2 |
| 20 (C) | 90.2 |
| 21 (CH3) | 25.5 |
| 22 (CH2) | 31.1 |
| 23 (CH2) | 29.2 |
| 24 (C) | 176.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 16.3 |
