2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

Common Name: 2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h7,12,14-16,18,21,24H,6,8-11H2,1-5H3,(H,22,23)/t12-,14+,15+,16+,18+,20-/m0/s1

InChIKey: InChIKey=OFZLWKQJQGKQGV-JMJREEFGSA-N

Formula: C20H34O4

Molecular Weight: 338.482323

Exact Mass: 338.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Favier, L.S., Nieto, M., Giordano, O.S., Tonn, C.E. Phytochemistry (1997) 45, 1469-74

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) 45.1
2 (CH) 72.8
3 (CH) 80
4 (C) 37.5
5 (CH) 49.8
6 (CH2) 22.5
7 (CH) 122.5
8 (C) 135.5
9 (CH) 56.1
10 (C) 36
11 (CH2) 26.1
12 (CH2) 38.5
13 (CH) 30.8
14 (CH2) 42.3
15 (C) 177.2
16 (CH3) 21.2
17 (CH3) 22.5
18 (CH3) 17.5
19 (CH3) 31
20 (CH3) 15.6