Spektraris NMR
(+)-JABOROMAGELLONE
Common Name: (+)-JABOROMAGELLONE
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-14-11-20(35-24(32)15(14)2)16(3)27(33)10-8-18-17-12-23(31)28(34)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,31,33-34H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=CJUPCEBETMQAPA-GEPVUSFESA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Fajardo, V., Podesta, F., Shamma, M., Freyer, A.J. J Nat Prod (1991) 54, 554-63
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 213.61 |
| 2 (CH2) | 32.52 |
| 3 (CH2) | 20.26 |
| 4 (CH2) | 29.81 |
| 5 (C) | 78.46 |
| 6 (CH) | 74.35 |
| 7 (CH2) | 39.37 |
| 8 (CH) | 28.65 |
| 9 (CH) | 39.46 |
| 10 (C) | 54 |
| 11 (CH2) | 32.62 |
| 12 (C) | 214.27 |
| 13 (C) | 59.77 |
| 14 (CH) | 48.04 |
| 15 (CH2) | 22.52 |
| 16 (CH2) | 36.59 |
| 17 (C) | 82.95 |
| 18 (CH3) | 17.67 |
| 19 (CH3) | 15.8 |
| 20 (CH) | 42.71 |
| 21 (CH3) | 13.07 |
| 22 (CH) | 77.8 |
| 23 (CH2) | 33.18 |
| 24 (C) | 150.78 |
| 25 (C) | 120.95 |
| 26 (C) | 167.29 |
| 27 (CH3) | 11.69 |
| 28 (CH3) | 19.98 |
