Spektraris NMR
(20S)-20-Hydroxy-3,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
Common Name: (20S)-20-Hydroxy-3,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
Synonyms: (20S)-20-Hydroxy-3,12-dioxo-25,26,27-trinordammarane-24-oic acid gamma-lactone
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-23(2)18-8-13-25(4)19(24(18,3)11-9-20(23)29)15-17(28)22-16(7-12-26(22,25)5)27(6)14-10-21(30)31-27/h16,18-19,22H,7-15H2,1-6H3/t16-,18-,19+,22-,24-,25+,26+,27-/m0/s1
InChIKey: InChIKey=RIPHFLSMVDOKMW-OGTCUWATSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
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 (CH2) | 39.2 |
| 2 (CH2) | 33.7 |
| 3 (C) | 216.7 |
| 4 (C) | 47.3 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.3 |
| 9 (CH) | 53.5 |
| 10 (C) | 37.2 |
| 11 (CH2) | 39.7 |
| 12 (C) | 210 |
| 13 (CH) | 56.9 |
| 14 (C) | 55.1 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 42.7 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.7 |
| 20 (C) | 88.6 |
| 21 (CH3) | 24.2 |
| 22 (CH2) | 28.9 |
| 23 (CH2) | 32.4 |
| 24 (C) | 176.9 |
| 28 (CH3) | 26.5 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.4 |
