Methyl 15,16-epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oate

Methyl 15,16-epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oate

Common Name: Methyl 15,16-epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O5/c1-15-7-8-20-22(3,10-6-11-23(20,4)21(25)26-5)18(15)13-19(28-16(2)24)17-9-12-27-14-17/h9,12,14,18-20H,1,6-8,10-11,13H2,2-5H3/t18-,19-,20+,22+,23-/m1/s1

InChIKey: InChIKey=XYXTXIACRWPXFQ-BQLVWXCYSA-N

Formula: C23H32O5

Molecular Weight: 388.498054

Exact Mass: 388.224974

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) 19.9
3 (CH2) 38
4 (C) 44.2
5 (CH) 56
6 (CH2) 25.7
7 (CH2) 38.4
8 (C) 147
9 (CH) 51.6
10 (C) 40
11 (CH2) 29.1
12 (CH) 68.1
13 (C) 124.1
14 (CH) 108.6
15 (CH) 143.3
16 (CH) 141.1
17 (CH2) 107.4
18 (CH3) 28.6
19 (C) 177.6
20 (CH3) 12.7
12b (C) 170.2
12c (CH3) 21.3
19b (CH3) 51.1