Spektraris NMR
3-O-Benzoyl-13,17-dibenzoyloxyingenol
Common Name: 3-O-Benzoyl-13,17-dibenzoyloxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H40O9/c1-24-20-39-25(2)21-40(50-37(47)28-17-11-6-12-18-28)32(38(40,3)22-31(43)26-13-7-4-8-14-26)30(34(39)45)19-29(23-42)33(44)41(39,48)35(24)49-36(46)27-15-9-5-10-16-27/h4-20,25,30,32-33,35,42,44,48H,21-23H2,1-3H3/t25-,30+,32-,33-,35+,38+,39+,40+,41+/m1/s1
InChIKey: InChIKey=AOSSLBGKQGUJBC-XNZGVHMTSA-N
Formula: C41H40O9
Molecular Weight: 676.752446
Exact Mass: 676.267233
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) | 131.5 |
| 2 (C) | 136.8 |
| 3 (CH) | 83 |
| 4 (C) | 85.1 |
| 5 (CH) | 76.3 |
| 6 (C) | 140.2 |
| 7 (CH) | 126 |
| 8 (CH) | 43 |
| 9 (C) | 205.1 |
| 10 (C) | 72 |
| 11 (CH) | 38.2 |
| 12 (CH2) | 35.3 |
| 13 (C) | 69.3 |
| 14 (CH) | 28.6 |
| 15 (C) | 34.4 |
| 16 (CH3) | 18.6 |
| 17 (CH2) | 65.6 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 15.6 |
| 20 (CH2) | 66.9 |
| 3a (C) | 167.2 |
| 3b (C) | 130.1 |
| 3c (CH) | 129.7 |
| 3d (CH) | 128.4 |
| 3e (CH) | 133.3 |
| 3f (CH) | 128.4 |
| 3g (CH) | 129.7 |
| 13a (C) | 166.2 |
| 13b (C) | 129.96 |
| 13c (CH) | 129.8 |
| 13d (CH) | 128.4 |
| 13e (CH) | 133.2 |
| 13f (CH) | 128.4 |
| 13g (CH) | 129.8 |
| 17a (C) | 166.6 |
| 17b (C) | 129.8 |
| 17c (CH) | 129.8 |
| 17d (CH) | 128.5 |
| 17e (CH) | 133.1 |
| 17f (CH) | 128.5 |
| 17g (CH) | 129.8 |
