Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate

Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate

Common Name: Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O6/c1-7-21(3)10-8-14-18(19(21)26)15(25)12-16-22(4,20(27)28-6)11-9-17(23(14,16)5)29-13(2)24/h7,15-17,19,25-26H,1,8-12H2,2-6H3/t15-,16?,17+,19-,21+,22-,23-/m1/s1

InChIKey: InChIKey=IYGOTIYRJHDCQM-DQYLUSJISA-N

Formula: C23H34O6

Molecular Weight: 406.513341

Exact Mass: 406.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gibbons S., Oluwatuyi M., Veitch N.C., Gray A.I. Phytochemistry (2003) 62, 83-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 72.9
2 (CH2) 21.7
3 (CH2) 30
4 (C) 46.5
5 (CH) 35
6 (CH2) 29.6
7 (CH) 68.2
8 (C) 130.2
9 (C) 142.3
10 (C) 42
11 (CH2) 20
12 (CH2) 30.7
13 (C) 39.9
14 (CH) 78.3
15 (CH) 142.2
16 (CH2) 114.6
17 (CH3) 23.2
18 (C) 178.1
19 (CH3) 16.6
20 (CH3) 18.8
1a (C) 170.7
1b (CH3) 21.3
18a (CH3) 52.2