Spektraris NMR
sphenadilactones B
Common Name: sphenadilactones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O12/c1-11-18-19(37-22(11)34)17-20-25(3,23(35)26(17,4)36)14(31)8-27-9-28-13(6-5-12(27)21(33)29(20,40-18)41-27)24(2,10-30)38-15(28)7-16(32)39-28/h11-13,15,17-21,30,33,36H,5-10H2,1-4H3/t11-,12?,13+,15-,17-,18-,19-,20+,21-,24+,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=ZGUYNIIFXPYCNB-PMOBDHMVSA-N
Formula: C29H36O12
Molecular Weight: 576.590067
Exact Mass: 576.220677
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Pu, J.X., Chang, Y., Li, X.L., Huang, S.X., Yang, L.M., Li, L.M., Lu, Y., Zheng, Y.T., Li, R.T., Zheng, Q.T., Sun, H.D. Org Lett (2006) 8, 1475-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (CH) | 80.5 |
| 2 (CH2) | 35.7 |
| 3 (C) | 174.6 |
| 4 (C) | 87.7 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 22.8 |
| 8 (CH) | 46.9 |
| 9 (C) | 80.9 |
| 10 (C) | 97.1 |
| 11 (CH2) | 51.4 |
| 12 (C) | 206.6 |
| 13 (C) | 64.4 |
| 14 (CH) | 80.2 |
| 15 (C) | 100.8 |
| 16 (CH) | 46.9 |
| 17 (C) | 219.1 |
| 18 (CH3) | 20.3 |
| 19 (CH2) | 44 |
| 20 (C) | 75.3 |
| 21 (CH3) | 26.4 |
| 22 (CH) | 42.9 |
| 23 (CH) | 73.8 |
| 24 (CH) | 71.8 |
| 25 (CH) | 42.4 |
| 26 (C) | 178.1 |
| 27 (CH3) | 8.6 |
| 29 (CH2) | 67.7 |
| 30 (CH3) | 16.8 |
