(13Z)-15,19-Diacetoxylabda-8(20),13-diene-2alpha,7alpha-diol

(13Z)-15,19-Diacetoxylabda-8(20),13-diene-2alpha,7alpha-diol

Common Name: (13Z)-15,19-Diacetoxylabda-8(20),13-diene-2alpha,7alpha-diol

Synonyms: (13Z)-15,19-Diacetoxylabda-8(20),13-diene-2alpha,7alpha-diol

CAS Registry Number:

InChI: InChI=1S/C24H38O6/c1-15(9-10-29-17(3)25)7-8-20-16(2)21(28)11-22-23(5,14-30-18(4)26)12-19(27)13-24(20,22)6/h9,19-22,27-28H,2,7-8,10-14H2,1,3-6H3/b15-9-/t19-,20-,21+,22-,23+,24+/m0/s1

InChIKey: InChIKey=XVUCUMWDJSQNSS-ZWZXQTEUSA-N

Formula: C24H38O6

Molecular Weight: 422.55584

Exact Mass: 422.266839

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fragoso-Serrano, M., Gonzalez-Chimeo, E., Pereda-Miranda, R. J Nat Prod (1999) 62, 45-50

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 47.6
2 (CH) 64.8
3 (CH2) 45.1
4 (C) 38.6
5 (CH) 53
6 (CH2) 33.2
7 (CH) 73.7
8 (C) 145.7
9 (CH) 53.7
10 (C) 40.3
11 (CH2) 21.5
12 (CH2) 30.1
13 (C) 142.2
14 (CH) 119.9
15 (CH2) 61.1
16 (CH3) 23.3
17 (CH2) 104.3
18 (CH3) 27.7
19 (CH2) 66.9
20 (CH3) 16.1
15a (C) 170.9
15b (CH3) 20.9
19a (C) 171.1
19b (CH3) 20.9