Spektraris NMR
kadlongilactones B
Common Name: kadlongilactones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-10,12,16,18,20-21,23,26,34H,7-8,11,13-14H2,1-5H3/t16-,18+,20+,21-,23-,26-,29+,30+/m0/s1
InChIKey: InChIKey=REUCSCMILGJJCP-SCPJPNRMSA-N
Formula: C30H36O6
Molecular Weight: 492.604374
Exact Mass: 492.251189
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Xiao, W.L., Lu, Y., Li, R.T., Li, H.M., Zhang, L., Huang, S.X., Li, X., Zhao, Q.S., Zheng, Q.T., Sun, H.D. Org Lett (2005) 7, 5079-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 143.8 |
| 2 (CH) | 119.6 |
| 3 (C) | 166.4 |
| 4 (C) | 80.2 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 57.8 |
| 9 (C) | 79.5 |
| 10 (C) | 146.1 |
| 11 (CH2) | 45.2 |
| 12 (CH) | 50.9 |
| 13 (C) | 151.1 |
| 14 (C) | 43.7 |
| 15 (CH2) | 52 |
| 16 (C) | 200.5 |
| 17 (C) | 132.2 |
| 18 (CH2) | 31.6 |
| 19 (CH) | 146.5 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 14 |
| 22 (CH) | 78.8 |
| 23 (CH) | 32.8 |
| 24 (CH) | 145 |
| 25 (C) | 128.5 |
| 26 (C) | 166.3 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 24.8 |
