Spektraris NMR
(20S)-3alpha-Acetoxy-20-hydroxy-1,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
Common Name: (20S)-3alpha-Acetoxy-20-hydroxy-1,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
Synonyms: (20S)-3alpha-Acetoxy-20-hydroxy-1,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
CAS Registry Number:
InChI: InChI=1S/C29H42O6/c1-16(30)34-22-15-21(32)29(7)19(25(22,2)3)9-12-26(4)20(29)14-18(31)24-17(8-11-27(24,26)5)28(6)13-10-23(33)35-28/h17,19-20,22,24H,8-15H2,1-7H3/t17-,19-,20-,22+,24-,26+,27+,28-,29-/m0/s1
InChIKey: InChIKey=GQTLJUKOKYTNEF-MVODYLOTSA-N
Formula: C29H42O6
Molecular Weight: 486.641282
Exact Mass: 486.298139
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 (C) | 211.1 |
| 2 (CH2) | 39.2 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.3 |
| 5 (CH) | 45.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.9 |
| 9 (CH) | 52.9 |
| 10 (C) | 42.6 |
| 11 (CH2) | 40.6 |
| 12 (C) | 209.6 |
| 13 (CH) | 56.8 |
| 14 (C) | 55.8 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 42.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 15.1 |
| 20 (C) | 88.8 |
| 21 (CH3) | 24.8 |
| 22 (CH2) | 32.5 |
| 23 (CH2) | 28.9 |
| 24 (C) | 177 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 21 |
| 30 (CH3) | 16.2 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.8 |
