Spektraris NMR
(20S,24R)-1beta,3alpha,12beta,25-Tetraacetoxy-20,24-epoxydammarane
Common Name: (20S,24R)-1beta,3alpha,12beta,25-Tetraacetoxy-20,24-epoxydammarane
Synonyms: (20S,24R)-1beta,3alpha,12beta,25-Tetraacetoxy-20,24-epoxydammarane
CAS Registry Number:
InChI: InChI=1S/C38H60O9/c1-21(39)43-26-19-28-35(9,17-14-27-33(5,6)30(44-22(2)40)20-31(38(27,28)12)45-23(3)41)36(10)16-13-25(32(26)36)37(11)18-15-29(47-37)34(7,8)46-24(4)42/h25-32H,13-20H2,1-12H3/t25-,26+,27-,28-,29+,30+,31+,32-,35+,36+,37-,38-/m0/s1
InChIKey: InChIKey=CSLSINMBGVKCNB-UXSFOGSZSA-N
Formula: C38H60O9
Molecular Weight: 660.879054
Exact Mass: 660.423734
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 |
| 3 (CH) | 77.9 |
| 4 (C) | 36.5 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 38.9 |
| 8 (C) | 40.3 |
| 9 (CH) | 49.4 |
| 10 (C) | 42 |
| 11 (CH2) | 31 |
| 12 (CH) | 75.7 |
| 13 (CH) | 45.5 |
| 14 (C) | 51.8 |
| 15 (CH2) | 34 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 51 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 12.6 |
| 20 (C) | 85.9 |
| 21 (CH3) | 21.7 |
| 22 (CH2) | 30 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 82.5 |
| 25 (C) | 83.1 |
| 26 (CH3) | 21.7 |
| 27 (CH3) | 22.6 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 17.3 |
| 1a (C) | 170.6 |
| 1b (CH3) | 22.5 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.5 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.4 |
| 25a (C) | 170 |
| 25b (CH3) | 21.2 |
