Spektraris NMR
Tupichigenin F
Common Name: Tupichigenin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)21-20(33-27)11-18-16-6-9-26(31)12-19(28)22(29)23(30)25(26,4)17(16)7-8-24(18,21)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20-,21-,22+,23+,24-,25-,26-,27+/m0/s1
InChIKey: InChIKey=OJOIREGWGDMNGQ-HRWDTOBOSA-N
Formula: C27H44O6
Molecular Weight: 464.635692
Exact Mass: 464.313789
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) | 77.9 |
| 2 (CH) | 68.1 |
| 3 (CH) | 71.8 |
| 4 (CH2) | 39.2 |
| 5 (C) | 74.7 |
| 6 (CH2) | 35.9 |
| 7 (CH2) | 28.8 |
| 8 (CH) | 34.8 |
| 9 (CH) | 45.6 |
| 10 (C) | 45.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 40 |
| 13 (C) | 40.6 |
| 14 (CH) | 56.2 |
| 15 (CH2) | 32.2 |
| 16 (CH) | 81.1 |
| 17 (CH) | 62.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 13.8 |
| 20 (CH) | 42.5 |
| 21 (CH3) | 14.8 |
| 22 (C) | 109.7 |
| 23 (CH2) | 26.3 |
| 24 (CH2) | 26.1 |
| 25 (CH) | 27.5 |
| 26 (CH2) | 65.1 |
| 27 (CH3) | 16.2 |
