3,12-Diacetyl-7-hydroxy-8-methoxyingol

3,12-Diacetyl-7-hydroxy-8-methoxyingol

Common Name: 3,12-Diacetyl-7-hydroxy-8-methoxyingol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O8/c1-11-9-25-22(32-15(5)27)12(2)10-24(25,33-25)21(29)13(3)19(31-14(4)26)16-17(23(16,6)7)20(30-8)18(11)28/h9,12-13,16-20,22,28H,10H2,1-8H3/b11-9+/t12-,13+,16-,17+,18+,19+,20-,22-,24-,25-/m0/s1

InChIKey: InChIKey=VEBAELRAUOUPCY-UTGUHXLPSA-N

Formula: C25H36O8

Molecular Weight: 464.549504

Exact Mass: 464.241018

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ravikanth, V., Lakshmi Niranjan Reddy, V., Vijender Reddy, A., Ravinder, K., Prabhakar Rao, T., Siva Ram, T., Anand Kumar, K., Prakesh Vamanarao, D., Venkateswarlu, Y. Chem Pharm Bull (2003) 51, 431-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) 31.59
2 (CH) 28.41
3 (CH) 77.74
4 (C) 73.71
5 (CH) 116.56
6 (C) 140.52
7 (CH) 73.03
8 (CH) 71.34
9 (CH) 25.77
10 (C) 18.94
11 (CH) 31.59
12 (CH) 80.76
13 (CH) 43.03
14 (C) 207.64
15 (C) 71
16 (CH3) 16.56
17 (CH3) 17.63
18 (CH3) 29.07
19 (CH3) 16.88
20 (CH3) 13.22
3a (C) 170.7
3b (CH3) 20.99
8a (CH3) 56.45
12a (C) 170.47
12b (CH3) 20.56