Spektraris NMR
Lupulin B
Common Name: Lupulin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O10/c1-8-16(2)26(33)38-22-10-9-21-28(6,23-12-20-13-25(34-7)40-27(20)39-23)17(3)11-24(37-19(5)32)29(21,14-35-18(4)31)30(22)15-36-30/h16-17,20-25,27H,8-15H2,1-7H3/t16?,17-,20+,21-,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=KWASAXPCLHTNCZ-ITCJRLTOSA-N
Formula: C30H46O10
Molecular Weight: 566.681401
Exact Mass: 566.309098
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, H., Tan, R.X., Liu, Z.L., Zhang, Y., Yang, L. J Nat Prod (1996) 59, 668-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 29.7 |
| 2 (CH2) | 31 |
| 3 (CH) | 66.6 |
| 4 (C) | 65.3 |
| 5 (C) | 46.3 |
| 6 (CH) | 71.3 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 36.1 |
| 9 (C) | 40.2 |
| 10 (CH) | 47.9 |
| 11 (CH) | 83.4 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 39.9 |
| 14 (CH2) | 38.1 |
| 15 (CH) | 104.9 |
| 16 (CH) | 107.2 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 42.5 |
| 19 (CH2) | 61.5 |
| 20 (CH3) | 13.9 |
| 3a (C) | 175.7 |
| 3b (CH) | 41.5 |
| 3c (CH2) | 26.6 |
| 3d (CH3) | 11 |
| 3ba (CH3) | 16.6 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.2 |
| 15a (CH3) | 54.7 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21 |
