Spektraris NMR
(24E)-6beta,26-Dihydroxydammara-20,24-dien-3-one
Common Name: (24E)-6beta,26-Dihydroxydammara-20,24-dien-3-one
Synonyms: (24E)-6beta,26-Dihydroxydammara-20,24-dien-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22(21)11-12-24-28(5)15-14-25(33)27(3,4)26(28)23(32)17-30(24,29)7/h9,21-24,26,31-32H,2,8,10-18H2,1,3-7H3/b19-9+/t21-,22-,23-,24-,26+,28-,29-,30-/m1/s1
InChIKey: InChIKey=SZEWCNGFJZJTKU-NBHGOMHUSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. Tetrahedron (1997) 53, 6465-72
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) | 43.06 |
| 2 (CH2) | 34.42 |
| 3 (C) | 216.59 |
| 4 (C) | 49.08 |
| 5 (CH) | 57.01 |
| 6 (CH) | 69.68 |
| 7 (CH2) | 42.45 |
| 8 (C) | 39.61 |
| 9 (CH) | 51.11 |
| 10 (C) | 36.84 |
| 11 (CH2) | 23.69 |
| 12 (CH2) | 24.96 |
| 13 (CH) | 44.24 |
| 14 (C) | 49.43 |
| 15 (CH2) | 31.37 |
| 16 (CH2) | 26.48 |
| 17 (CH) | 47.6 |
| 18 (CH3) | 16 |
| 19 (CH3) | 16.58 |
| 20 (C) | 152.16 |
| 21 (CH2) | 107.89 |
| 22 (CH2) | 34.27 |
| 23 (CH2) | 28.77 |
| 24 (CH) | 128.23 |
| 25 (C) | 134.44 |
| 26 (CH2) | 61.61 |
| 27 (CH3) | 21.28 |
| 28 (CH3) | 23.69 |
| 29 (CH3) | 24.88 |
| 30 (CH3) | 16.93 |
