Spektraris NMR
Tubocapsanolide A
Common Name: Tubocapsanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=RQGXOMVMGPVOQK-KAUDDYPASA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
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) | 132.3 |
| 3 (CH) | 145 |
| 4 (CH) | 70.3 |
| 5 (C) | 64.5 |
| 6 (CH) | 59.8 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 28.7 |
| 9 (CH) | 44.9 |
| 10 (C) | 48.6 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 33.1 |
| 13 (C) | 42.3 |
| 14 (CH) | 45.5 |
| 15 (CH2) | 27.7 |
| 16 (CH) | 61.2 |
| 17 (C) | 70.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 17 |
| 20 (CH) | 34.3 |
| 21 (CH3) | 12.6 |
| 22 (CH) | 76.2 |
| 23 (CH2) | 33.6 |
| 24 (C) | 149.1 |
| 25 (C) | 121.9 |
| 26 (C) | 165.9 |
| 27 (CH3) | 12.7 |
| 28 (CH3) | 20 |
