Spektraris NMR
(20S,24R)-20,24-Epoxy-1beta,3alpha,12beta,25-tetrahydroxydammarane
Common Name: (20S,24R)-20,24-Epoxy-1beta,3alpha,12beta,25-tetrahydroxydammarane
Synonyms: (20S,24R)-20,24-Epoxy-1beta,3alpha,12beta,25-tetrahydroxydammarane
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-25(2)19-10-13-27(5)20(30(19,8)22(33)16-21(25)32)15-18(31)24-17(9-12-28(24,27)6)29(7)14-11-23(35-29)26(3,4)34/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20-,21+,22+,23+,24-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=ZDMWPLUKUXQVLI-XVFMUMENSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
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) | 74.8 |
| 2 (CH2) | 36.3 |
| 3 (CH) | 76.4 |
| 4 (C) | 37.3 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.6 |
| 8 (C) | 40.6 |
| 9 (CH) | 51.9 |
| 10 (C) | 43.5 |
| 11 (CH2) | 34.1 |
| 12 (CH) | 71.2 |
| 13 (CH) | 48 |
| 14 (C) | 51.2 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 48.8 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 12.2 |
| 20 (C) | 86.4 |
| 21 (CH3) | 27.8 |
| 22 (CH2) | 31.2 |
| 23 (CH2) | 25 |
| 24 (CH) | 85.3 |
| 25 (C) | 70.2 |
| 26 (CH3) | 27.5 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 15.6 |
