Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate

Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate

Common Name: Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O7/c1-8-23(4)11-9-16-20(21(23)32-15(3)27)17(28)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)31-14(2)26/h8,17-19,21,28H,1,9-13H2,2-7H3/t17-,18?,19+,21-,23+,24-,25-/m1/s1

InChIKey: InChIKey=KXWKSPNIQYUWFA-WNNBIWPKSA-N

Formula: C25H36O7

Molecular Weight: 448.550099

Exact Mass: 448.246104

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) 72.8
2 (CH2) 21.7
3 (CH2) 29.9
4 (C) 46.5
5 (CH) 34.8
6 (CH2) 29.5
7 (CH) 66.8
8 (C) 128.4
9 (C) 144.6
10 (C) 42.3
11 (CH2) 20.1
12 (CH2) 31.4
13 (C) 39.3
14 (CH) 79
15 (CH) 141.5
16 (CH2) 113.8
17 (CH3) 23.4
18 (C) 178.1
19 (CH3) 16.6
20 (CH3) 18.8
1a (C) 171.1
1b (CH3) 21.3
14a (C) 170.7
14b (CH3) 21.3
18a (CH3) 52.2