15,16-Epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oic acid

15,16-Epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oic acid

Common Name: 15,16-Epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-14-6-7-19-21(3,9-5-10-22(19,4)20(24)25)17(14)12-18(27-15(2)23)16-8-11-26-13-16/h8,11,13,17-19H,1,5-7,9-10,12H2,2-4H3,(H,24,25)/t17-,18-,19+,21+,22-/m1/s1

InChIKey: InChIKey=XHLPHOWXYLFMPQ-PIBZIWMISA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2003) 64, 1309-17

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) 38.9
2 (CH2) 19.8
3 (CH2) 37.8
4 (C) 44.1
5 (CH) 56
6 (CH2) 25.9
7 (CH2) 38.4
8 (C) 146.9
9 (CH) 51.7
10 (C) 40.2
11 (CH2) 29.2
12 (CH) 68.1
13 (C) 124.2
14 (CH) 108.7
15 (CH) 143.4
16 (CH) 141.2
17 (CH2) 107.5
18 (CH3) 28.8
19 (C) 182.8
20 (CH3) 12.9
12b (C) 170.3
12c (CH3) 21.3