Spektraris NMR
Tupichigenin D
Common Name: Tupichigenin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h15-23,28-31H,1,5-13H2,2-4H3/t15-,16+,17-,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey: InChIKey=LLALJIDXOPBDFG-ZDTBLJLZSA-N
Formula: C27H42O6
Molecular Weight: 462.61981
Exact Mass: 462.298139
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) | 75.3 |
| 2 (CH2) | 36.9 |
| 3 (CH) | 69.4 |
| 4 (CH) | 74.6 |
| 5 (C) | 77.4 |
| 6 (CH2) | 30.6 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 35.6 |
| 9 (CH) | 46 |
| 10 (C) | 45 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 40.4 |
| 13 (C) | 41.3 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 32.7 |
| 16 (CH) | 82 |
| 17 (CH) | 63.5 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 14.5 |
| 20 (CH) | 42.4 |
| 21 (CH3) | 15.6 |
| 22 (C) | 110 |
| 23 (CH2) | 33.8 |
| 24 (CH2) | 29.5 |
| 25 (C) | 144.9 |
| 26 (CH2) | 65.6 |
| 27 (CH2) | 109.3 |
