2-{[(1R,2S,3R,4aS,8aS)-2,3-Dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]methyl}-1,4-phenylene diacetate

2-{[(1R,2S,3R,4aS,8aS)-2,3-Dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]methyl}-1,4-phenylene diacetate

Common Name: 2-{[(1R,2S,3R,4aS,8aS)-2,3-Dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]methyl}-1,4-phenylene diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O6/c1-15(26)30-18-8-9-19(31-16(2)27)17(12-18)13-21-24(5)11-7-10-23(3,4)20(24)14-22(28)25(21,6)29/h8-9,12,20-22,28-29H,7,10-11,13-14H2,1-6H3/t20-,21+,22+,24-,25-/m0/s1

InChIKey: InChIKey=HDBIKZJNLAEBGQ-YVGXJORLSA-N

Formula: C25H36O6

Molecular Weight: 432.550694

Exact Mass: 432.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perez-Garcia, E., Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2005) 68, 653-8

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) 39.8
2 (CH2) 18.5
3 (CH2) 41.7
4 (C) 32.8
5 (CH) 46.3
6 (CH2) 25.8
7 (CH) 74.6
8 (C) 74.6
9 (CH) 55.5
10 (C) 38.8
11 (CH2) 24.1
12 (CH3) 23.4
13 (CH3) 33.1
14 (CH3) 21.5
15 (CH3) 14.8
1' (C) 137.5
2' (C) 145.7
3' (CH) 123.1
4' (CH) 119.6
5' (C) 148.2
6' (CH) 123.4
2'a (C) 169.6
2'b (CH3) 169.4
5'a (C) 21.2
5'b (CH3) 21.1