Spektraris NMR
17alpha-Hydroxycabraleahydroxylactone
Common Name: 17alpha-Hydroxycabraleahydroxylactone
Synonyms: 17alpha-Hydroxycabraleahydroxylactone
CAS Registry Number:
InChI: InChI=1S/C27H44O4/c1-22(2)17-9-13-24(4)18(23(17,3)12-10-20(22)28)7-8-19-25(24,5)15-16-27(19,30)26(6)14-11-21(29)31-26/h17-20,28,30H,7-16H2,1-6H3/t17-,18+,19-,20+,23-,24+,25+,26-,27+/m0/s1
InChIKey: InChIKey=SAHJNWSRUWGRMS-IWPNGTKTSA-N
Formula: C27H44O4
Molecular Weight: 432.636882
Exact Mass: 432.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9
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) | 33.7 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.3 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.7 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 22.8 |
| 13 (CH) | 46 |
| 14 (C) | 50 |
| 15 (CH2) | 32.5 |
| 16 (CH2) | 36.3 |
| 17 (C) | 83.5 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.8 |
| 20 (C) | 92.8 |
| 21 (CH3) | 23 |
| 22 (CH2) | 29.2 |
| 23 (CH2) | 29.2 |
| 24 (C) | 176.6 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 17.1 |
