Methyl 13b-ethoxy-7a-hydaoxyabiet-8(14)-enoate (methyl[1a-(1a,4ab,4ba,7b,9a,10aa)]-1,2,3,4,4a,4b,5,6

Methyl 13b-ethoxy-7a-hydaoxyabiet-8(14)-enoate (methyl[1a-(1a,4ab,4ba,7b,9a,10aa)]-1,2,3,4,4a,4b,5,6

Common Name: Methyl 13b-ethoxy-7a-hydaoxyabiet-8(14)-enoate (methyl[1a-(1a,4ab,4ba,7b,9a,10aa)]-1,2,3,4,4a,4b,5,6

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H38O4/c1-7-27-23(15(2)3)12-9-17-16(14-23)18(24)13-19-21(17,4)10-8-11-22(19,5)20(25)26-6/h14-15,17-19,24H,7-13H2,1-6H3/t17?,18-,19-,21-,22-,23-/m1/s1

InChIKey: InChIKey=XEKFBYAXMLUPDU-LVZBBJLBSA-N

Formula: C23H38O4

Molecular Weight: 378.546294

Exact Mass: 378.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Prinz, S., Mullner, U., Heilmann, J., Winkelmann, K., Sticher, O., Haslinger, E., Hufner, A. J Nat Prod (2002) 65, 1530-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 37.8
2 (CH2) 16.7
3 (CH2) 36.9
4 (C) 46.9
5 (CH) 42
6 (CH2) 31.9
7 (CH) 72.7
8 (C) 145
9 (CH) 47
10 (C) 38.1
11 (CH2) 18
12 (CH2) 26.6
13 (C) 75.2
14 (CH) 130.2
15 (CH) 32.8
16 (CH3) 16
17 (CH3) 17.8
18 (C) 178.9
19 (CH3) 16.8
20 (CH3) 13.8
13a (CH2) 56.5
13b (CH3) 16.2
18a (CH3) 52