Spektraris NMR
Cabraleadiol monoacetate
Common Name: Cabraleadiol monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21?,22-,23-,24?,25+,26-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=MYKPKZPRXSYQEQ-PZCFODFOSA-N
Formula: C32H54O4
Molecular Weight: 502.769969
Exact Mass: 502.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hisham, A., Bai, M.D.A., Fujimoto, Y., Hara, N., Shimada, H. Magn Reson Chem (1996) 34, 146-50
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) | 34.3 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 78.3 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 27 |
| 13 (CH) | 42.7 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16 |
| 20 (C) | 86.5 |
| 21 (CH3) | 27.1 |
| 22 (CH2) | 34.7 |
| 23 (CH2) | 26.3 |
| 24 (CH) | 86.2 |
| 25 (C) | 70.2 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 24 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 16.6 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.7 |
