Spektraris NMR
Tubocapsanolide D
Common Name: Tubocapsanolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=RGWWJKQOLUSAOK-LZXUJXKGSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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) | 127.9 |
| 3 (CH) | 142.9 |
| 4 (CH) | 66.1 |
| 5 (C) | 78.1 |
| 6 (CH) | 66.6 |
| 7 (CH2) | 39.2 |
| 8 (CH) | 36.1 |
| 9 (CH) | 45.1 |
| 10 (C) | 57 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 47.9 |
| 14 (CH) | 49.5 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 35.2 |
| 17 (C) | 85.2 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 9.9 |
| 20 (CH) | 40.2 |
| 21 (CH3) | 13 |
| 22 (CH) | 78.3 |
| 23 (CH2) | 33.1 |
| 24 (C) | 150.9 |
| 25 (C) | 121.1 |
| 26 (C) | 167.5 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 20.5 |
