Spektraris NMR
6a,7R-epoxy-3R,21b-dihydroxytaraxer-28-al
Common Name: 6a,7R-epoxy-3R,21b-dihydroxytaraxer-28-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)14-19-27(5)11-8-18-28(6)12-10-20(32)26(3,4)23(28)22-24(34-22)29(18,7)17(27)9-13-30(19,16-31)15-21(25)33/h9,16,18-24,32-33H,8,10-15H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=IHASKMLDSLIRAQ-IPAVGYQKSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S.P., Schilling, J.K., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G.I. J Nat Prod (2004) 67, 895-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 32.6 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 76.1 |
| 4 (C) | 40.2 |
| 5 (CH) | 52.4 |
| 6 (CH) | 67.3 |
| 7 (CH) | 73.6 |
| 8 (C) | 42.7 |
| 9 (CH) | 47.6 |
| 10 (C) | 36 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 31.6 |
| 13 (C) | 37.8 |
| 14 (C) | 160.1 |
| 15 (CH) | 119.9 |
| 16 (CH2) | 32.3 |
| 17 (C) | 58.4 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 41.2 |
| 20 (C) | 27.9 |
| 21 (CH) | 75.4 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 24.4 |
| 27 (CH3) | 19.8 |
| 28 (CH) | 205.8 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 29.2 |
