Spektraris NMR
21,23-Epoxy-7r,21-dihydroxyapotirucalla-14,24-dien-3-one
Common Name: 21,23-Epoxy-7r,21-dihydroxyapotirucalla-14,24-dien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)16-19-17-20(26(32)33-19)21-8-9-23-28(21,5)13-11-24-29(6)15-12-25(31)27(3,4)22(29)10-14-30(23,24)7/h9,16,19-22,24,26,32H,8,10-15,17H2,1-7H3/t19-,20-,21-,22-,24+,26?,28-,29-,30-/m0/s1
InChIKey: InChIKey=OISIWKUDPMVVRF-PARVLNJJSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick, C., Lien, T.P., Adam, G., Sung, T.V. J Nat Prod (2003) 66, 675-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.44 |
| 2 (CH2) | 33.91 |
| 3 (C) | 217.52 |
| 4 (C) | 46.94 |
| 5 (CH) | 46.46 |
| 6 (CH2) | 24.73 |
| 7 (CH2) | 71.95 |
| 8 (C) | 44.01 |
| 9 (CH) | 40.97 |
| 10 (C) | 37.13 |
| 11 (CH2) | 16.21 |
| 12 (CH2) | 32.52 |
| 13 (C) | 46.88 |
| 14 (C) | 161.91 |
| 15 (CH) | 119.42 |
| 16 (CH2) | 34.68 |
| 17 (CH) | 57.85 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 14.93 |
| 20 (CH) | 48.21 |
| 21 (CH) | 101.97 |
| 22 (CH2) | 39.12 |
| 23 (CH) | 74.15 |
| 24 (CH) | 124.54 |
| 25 (C) | 137.11 |
| 26 (CH3) | 25.76 |
| 27 (CH3) | 18.28 |
| 28 (CH3) | 26.21 |
| 29 (CH3) | 21.12 |
| 30 (CH3) | 27.05 |
