Spektraris NMR
20-Hydroxytubocapsanolide A
Common Name: 20-Hydroxytubocapsanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=ONOYEGAYNUISOH-QTRSZHGFSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
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) | 202.6 |
| 2 (CH) | 132.9 |
| 3 (CH) | 145.3 |
| 4 (CH) | 70.8 |
| 5 (C) | 65 |
| 6 (CH) | 60.2 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 28.6 |
| 9 (CH) | 45 |
| 10 (C) | 49 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 34.1 |
| 13 (C) | 43 |
| 14 (CH) | 47.3 |
| 15 (CH2) | 27.6 |
| 16 (CH) | 58.1 |
| 17 (C) | 73 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.1 |
| 20 (C) | 73.3 |
| 21 (CH3) | 24.2 |
| 22 (CH) | 80 |
| 23 (CH2) | 30.7 |
| 24 (C) | 150.6 |
| 25 (C) | 121.8 |
| 26 (C) | 166.2 |
| 27 (CH3) | 13 |
| 28 (CH3) | 20.6 |
