Spektraris NMR
Breviflorasterone
Common Name: Breviflorasterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O8/c1-6-15-14(2)25(34)37-23(15)24(33)28(5,35)22-8-10-29(36)17-11-19(30)18-12-20(31)21(32)13-26(18,3)16(17)7-9-27(22,29)4/h11,14-16,18,20-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,18-,20+,21-,22-,23+,24+,26+,27+,28+,29+/m0/s1
InChIKey: InChIKey=QHMFBDXCUNQLMU-SMJKJTOCSA-N
Formula: C29H44O8
Molecular Weight: 520.655974
Exact Mass: 520.303618
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Castro, A., Coll, J., Tandron, Y.A., Pant, A.K., Mathela, C.S. J Nat Prod (2008) 71, 1294-6
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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) | 37.9 |
| 2 (CH) | 68.1 |
| 3 (CH) | 68 |
| 4 (CH2) | 32.5 |
| 5 (CH) | 51.4 |
| 6 (C) | 203.5 |
| 7 (CH) | 121.6 |
| 8 (C) | 166 |
| 9 (CH) | 34.4 |
| 10 (C) | 38.6 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 31.9 |
| 13 (C) | 48.1 |
| 14 (C) | 84 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 21 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 18 |
| 19 (CH3) | 24.4 |
| 20 (C) | 75.8 |
| 21 (CH3) | 22.5 |
| 22 (CH) | 77.8 |
| 23 (CH) | 82.9 |
| 24 (CH) | 40.9 |
| 25 (CH) | 38.1 |
| 26 (C) | 180.4 |
| 27 (CH3) | 10.6 |
| 24a (CH2) | 22 |
| 24b (CH3) | 12 |
