Spektraris NMR
(20S,24R)-1beta,3alpha,12beta-Triacetoxy-20,24-epoxy-25-hydroxydammarane
Common Name: (20S,24R)-1beta,3alpha,12beta-Triacetoxy-20,24-epoxy-25-hydroxydammarane
Synonyms: (20S,24R)-1beta,3alpha,12beta-Triacetoxy-20,24-epoxy-25-hydroxydammarane
CAS Registry Number:
InChI: InChI=1S/C36H58O8/c1-20(37)41-24-18-26-33(8,34(9)15-12-23(30(24)34)35(10)17-14-27(44-35)32(6,7)40)16-13-25-31(4,5)28(42-21(2)38)19-29(36(25,26)11)43-22(3)39/h23-30,40H,12-19H2,1-11H3/t23-,24+,25-,26-,27+,28+,29+,30-,33+,34+,35-,36-/m0/s1
InChIKey: InChIKey=JELZYHLFEQZWEE-RZQGPSGGSA-N
Formula: C36H58O8
Molecular Weight: 618.842295
Exact Mass: 618.413169
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simirgiotis, M.J., Jimenez, C., Rodriguez, J., Giordano, O.S., Tonn, C.E. J Nat Prod (2003) 66, 1586-92
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 (CH) | 78.8 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 78 |
| 4 (C) | 38.9 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 36.6 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.8 |
| 10 (C) | 42.1 |
| 11 (CH2) | 30.2 |
| 12 (CH) | 75.7 |
| 13 (CH) | 45.7 |
| 14 (C) | 51.8 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 22.2 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 12.7 |
| 20 (C) | 85.6 |
| 21 (CH3) | 25.8 |
| 22 (CH2) | 31.3 |
| 23 (CH2) | 24.2 |
| 24 (CH) | 83.4 |
| 25 (C) | 71 |
| 26 (CH3) | 27.5 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 15.9 |
| 1a (C) | 170.6 |
| 1b (CH3) | 21.6 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.4 |
| 12a (C) | 170 |
| 12b (CH3) | 21.3 |
