Spektraris NMR
Dendronesterone B
Common Name: Dendronesterone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h13,15,18,20-21,23-26H,3,7-12,14,16-17H2,1-2,4-6H3/t20-,21+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=KPTGMDRVLSGBME-GWEYPQJLSA-N
Formula: C28H44O1
Molecular Weight: 396.649403
Exact Mass: 396.339216
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 : Ergostanes; 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) | 127.3 |
| 3 (C) | 202.4 |
| 4 (CH2) | 41 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 28.2 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 35.7 |
| 9 (CH) | 49.9 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 39.8 |
| 13 (C) | 42.7 |
| 14 (CH) | 56.3 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 56 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 13 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34.6 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.6 |
| 25 (CH) | 31.3 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 22 |
| 24a (CH2) | 106 |
