Spektraris NMR
Tupichigenin E
Common Name: Tupichigenin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h16-23,28-30H,1,5-14H2,2-4H3/t16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey: InChIKey=GFMZVJNSWOANRO-MDJSFPJWSA-N
Formula: C27H42O5
Molecular Weight: 446.620406
Exact Mass: 446.303224
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Chang, F.R., Wei, L.M., Wu, Y.C. J Nat Prod (2003) 66, 161-8
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 74.6 |
| 2 (CH2) | 40 |
| 3 (CH) | 68.4 |
| 4 (CH2) | 37.1 |
| 5 (C) | 75.9 |
| 6 (CH2) | 35.6 |
| 7 (CH2) | 30.3 |
| 8 (CH) | 34.9 |
| 9 (CH) | 46.4 |
| 10 (C) | 44.6 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 40.7 |
| 13 (C) | 41.3 |
| 14 (CH) | 56.9 |
| 15 (CH2) | 32.8 |
| 16 (CH) | 82.2 |
| 17 (CH) | 63.6 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 14.4 |
| 20 (CH) | 42.6 |
| 21 (CH3) | 15.7 |
| 22 (C) | 110.2 |
| 23 (CH2) | 33.8 |
| 24 (CH2) | 29.6 |
| 25 (C) | 144.9 |
| 26 (CH2) | 65.7 |
| 27 (CH2) | 109.6 |
