Spektraris NMR
Anomanolide B
Common Name: Anomanolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)27(34)10-8-15-14-11-21(31)28(35)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15-,16-,17?,18+,20-,21-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey: InChIKey=YIUICDUSPHFGCI-BXVBWOAGSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
NMR Solvent: CDCl3
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) | 200 |
| 2 (CH) | 127.7 |
| 3 (CH) | 142.8 |
| 4 (CH) | 66.2 |
| 5 (C) | 78.1 |
| 6 (CH) | 66.6 |
| 7 (CH2) | 39.4 |
| 8 (CH) | 35.2 |
| 9 (CH) | 45.5 |
| 10 (C) | 57.2 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 31.6 |
| 13 (C) | 47.7 |
| 14 (CH) | 49.8 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 37.9 |
| 17 (C) | 84.1 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 9.9 |
| 20 (CH) | 52.9 |
| 21 (CH2) | 34.3 |
| 22 (CH) | 85.5 |
| 23 (CH2) | 41.2 |
| 24 (C) | 46.8 |
| 25 (C) | 77.2 |
| 26 (C) | 178.7 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 19.9 |
