Spektraris NMR
Dendronesterone A
Common Name: Dendronesterone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,18-20,22-25H,7,9-12,14,16-17H2,1-5H3/b8-6+/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=NMNGXZAVNGFGJR-BHWJTTKVSA-N
Formula: C27H42O1
Molecular Weight: 382.622786
Exact Mass: 382.323566
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Song, P.Y., Wang, S.K., Dai, C.F. J Nat Prod (2004) 67, 1650-3
Species:
Notes: Family : Steroids, Type : Cholestanes; 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 (CH) | 158.7 |
| 2 (CH) | 127.4 |
| 3 (C) | 200.4 |
| 4 (CH2) | 41.1 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 35.7 |
| 9 (CH) | 50.1 |
| 10 (C) | 39.1 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 39.7 |
| 13 (C) | 42.7 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 56 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 13 |
| 20 (CH) | 40.2 |
| 21 (CH3) | 20.9 |
| 22 (CH) | 138 |
| 23 (CH) | 126.5 |
| 24 (CH2) | 42 |
| 25 (CH) | 28.6 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22.3 |
