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/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h8,13,15,17,19,24H,7,9-12H2,1-6H3/t13-,15+,17+,19+,21-/m0/s1

InChIKey: InChIKey=GSSXKRUPCGVXLQ-ANFZLHQHSA-N

Formula: C21H34O4

Molecular Weight: 350.493059

Exact Mass: 350.24571

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) 51.3
2 (C) 210.8
3 (CH) 82.4
4 (C) 43.5
5 (CH) 48.6
6 (CH2) 24.4
7 (CH) 122.1
8 (C) 134.7
9 (CH) 55.1
10 (C) 44.8
11 (CH2) 23.6
12 (CH2) 38.7
13 (CH) 30.8
14 (CH2) 41.5
15 (C) 173.4
16 (CH3) 19.5
17 (CH3) 21.7
18 (CH3) 15.7
19 (CH3) 28.1
20 (CH3) 14.5
15a (CH3) 51.4