Spektraris NMR
Tubocapsanolide F
Common Name: Tubocapsanolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=FBVUDUMNPFUQRB-PCLPIYRRSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hsieh, P.W., Huang, Z.Y., Chen, J.H., Chang, F.R., Wu, C.C., Yang, Y.L., Chiang, M.Y., Yen, M.H., Chen, S.L., Yen, H.F., Lubken, T., Hung, W.C., Wu, Y.C. J Nat Prod (2007) 70, 747-53
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 202.5 |
| 2 (CH) | 132.3 |
| 3 (CH) | 144.9 |
| 4 (CH) | 70.3 |
| 5 (C) | 64.4 |
| 6 (CH) | 59.9 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 30.5 |
| 9 (CH) | 44.3 |
| 10 (C) | 48.5 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 24 |
| 13 (C) | 48 |
| 14 (CH) | 50.5 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 37.3 |
| 17 (C) | 84.3 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 17.1 |
| 20 (CH) | 43.6 |
| 21 (CH3) | 9.9 |
| 22 (CH) | 79.2 |
| 23 (CH2) | 33.1 |
| 24 (C) | 150.5 |
| 25 (C) | 121.4 |
| 26 (C) | 166.8 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20 |
