Common Name: 7a,13a-Dihydaoxyabiet-8(14)-enoic acid ([1a-(1a,4ab,-4ba,7b,9a, 10aa)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14-16,21,24H,5-10H2,1-4H3,(H,22,23)/t14?,15-,16-,18-,19-,20+/m1/s1
InChIKey: InChIKey=MCLNTUSJKTXCRD-VFJGUALHSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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)
Position | PPM |
---|---|
1 (CH2) | 37.9 |
2 (CH2) | 18 |
3 (CH2) | 36.8 |
4 (C) | 46.7 |
5 (CH) | 41.8 |
6 (CH2) | 31.8 |
7 (CH) | 72.9 |
8 (C) | 143.2 |
9 (CH) | 45.6 |
10 (C) | 38.5 |
11 (CH2) | 18.1 |
12 (CH2) | 25.9 |
13 (C) | 76.4 |
14 (CH) | 131.3 |
15 (CH) | 34.3 |
16 (CH3) | 16.7 |
17 (CH3) | 17.1 |
18 (C) | 182.8 |
19 (CH3) | 16.7 |
20 (CH3) | 14.5 |