Spektraris NMR
23-Hydroxytubocapsanolide A
Common Name: 23-Hydroxytubocapsanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-12-13(2)24(32)33-23(22(12)31)14(3)27-21(34-27)11-17-15-10-20-28(35-20)19(30)7-6-18(29)26(28,5)16(15)8-9-25(17,27)4/h6-7,14-17,19-23,30-31H,8-11H2,1-5H3/t14-,15-,16+,17+,19+,20-,21-,22+,23+,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=ZTDAKBMARSMGBP-FVMAOMGMSA-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) | 202.4 |
| 2 (CH) | 132.2 |
| 3 (CH) | 145 |
| 4 (CH) | 70.2 |
| 5 (C) | 64.4 |
| 6 (CH) | 59.7 |
| 7 (CH2) | 31.2 |
| 8 (CH) | 28.6 |
| 9 (CH) | 44.8 |
| 10 (C) | 48.5 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 32.5 |
| 13 (C) | 42.4 |
| 14 (CH) | 45.3 |
| 15 (CH2) | 27.6 |
| 16 (CH) | 61.7 |
| 17 (C) | 71.2 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 16.9 |
| 20 (CH) | 32.8 |
| 21 (CH3) | 14.3 |
| 22 (CH) | 82.9 |
| 23 (CH) | 66.6 |
| 24 (C) | 149.8 |
| 25 (C) | 123.4 |
| 26 (C) | 164.3 |
| 27 (CH3) | 12.8 |
| 28 (CH3) | 17.7 |
