Spektraris NMR
17-Benzoyloxy-13-octanoyloxyingenol
Common Name: 17-Benzoyloxy-13-octanoyloxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O8/c1-5-6-7-8-12-15-27(38)43-34-18-22(3)33-17-21(2)29(39)35(33,42)30(40)24(20-36)16-25(31(33)41)28(34)32(34,4)19-26(37)23-13-10-9-11-14-23/h9-11,13-14,16-17,22,25,28-30,36,39-40,42H,5-8,12,15,18-20H2,1-4H3/t22-,25+,28-,29+,30-,32+,33+,34+,35-/m1/s1
InChIKey: InChIKey=WXKHRAZBCQSNNZ-KVMBOPBSSA-N
Formula: C35H46O8
Molecular Weight: 594.73627
Exact Mass: 594.319268
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Yang, M., Zhang, J.Q., Chen, G.T., Huang, H.L., Guan, S.H., Ma, C., Liu, X., Guo, D.A. Phytochemistry (2008) 69, 812-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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) | 128.6 |
| 2 (C) | 139.8 |
| 3 (CH) | 80.2 |
| 4 (C) | 84.3 |
| 5 (CH) | 75.2 |
| 6 (C) | 141.2 |
| 7 (CH) | 125.2 |
| 8 (CH) | 43.3 |
| 9 (C) | 205.4 |
| 10 (C) | 72.7 |
| 11 (CH) | 38.8 |
| 12 (CH2) | 35.4 |
| 13 (C) | 68.4 |
| 14 (CH) | 28.7 |
| 15 (C) | 33.9 |
| 16 (CH3) | 18.7 |
| 17 (CH2) | 65.7 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 15.4 |
| 20 (CH2) | 66.6 |
| 13a (C) | 173.5 |
| 13b (CH2) | 35.4 |
| 13c (CH2) | 24.8 |
| 13d (CH2) | 29.2 |
| 13e (CH2) | 28.9 |
| 13f (CH2) | 31.7 |
| 13g (CH2) | 22.6 |
| 13h (CH3) | 14 |
| 17a (C) | 166.9 |
| 17b (C) | 130.1 |
| 17c (CH) | 129.8 |
| 17d (CH) | 128.5 |
| 17e (CH) | 133.2 |
| 17f (CH) | 128.5 |
| 17g (CH) | 129.8 |
