Spektraris NMR
Abiesanolide E
Common Name: Abiesanolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-18(2)22-9-8-21-23(27(22,5)13-12-25(31)32)10-15-29(7)24(21)11-14-28(29,6)20(4)17-30(34)16-19(3)26(33)35-30/h8-9,16,20,22-23,34H,1,10-15,17H2,2-7H3,(H,31,32)/t20-,22+,23-,27+,28+,29-,30?/m1/s1
InChIKey: InChIKey=PXUVKOROGDHWDC-YZTRSCKFSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, H.Y., Wu, L.J., Nakane, T., Shirota, O., Kuroyanagi, M. Chem Pharm Bull (2008) 56, 554-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 28.4 |
| 2 (CH2) | 29.4 |
| 3 (C) | 178.7 |
| 4 (C) | 145.8 |
| 5 (CH) | 50.6 |
| 6 (CH) | 126.7 |
| 7 (CH) | 125 |
| 8 (C) | 125.2 |
| 9 (CH) | 39.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 32 |
| 13 (C) | 47.4 |
| 14 (C) | 146.6 |
| 15 (CH2) | 23.7 |
| 16 (CH2) | 35.9 |
| 17 (C) | 49.5 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 21.8 |
| 20 (CH) | 33 |
| 21 (CH3) | 17.9 |
| 22 (CH2) | 40.9 |
| 23 (C) | 106.4 |
| 24 (CH) | 147.5 |
| 25 (C) | 131.9 |
| 26 (C) | 171.8 |
| 27 (CH3) | 10.5 |
| 28 (CH2) | 115.5 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 21.7 |
