12,15-Epoxy-5αH,9βH-labda-8(17),13-dien-19-oic acid

12,15-Epoxy-5αH,9βH-labda-8(17),13-dien-19-oic acid

Common Name: 12,15-Epoxy-5αH,9βH-labda-8(17),13-dien-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13-6-7-17-19(3,9-5-10-20(17,4)18(21)22)15(13)12-16-14(2)8-11-23-16/h8,15-17H,1,5-7,9-12H2,2-4H3,(H,21,22)/t15-,16?,17-,19-,20+/m1/s1

InChIKey: InChIKey=FOFOBMPUEROEKT-IANLTVAPSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Wu, B., He, S., Wu, X.D., Pan, Y.J. Planta Med (2006) 72, 1334-8

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) 39
2 (CH2) 20.45
3 (CH2) 36.19
4 (C) 39.17
5 (CH) 56.28
6 (CH2) 26.48
7 (CH2) 38.8
8 (C) 149.45
9 (CH) 51.71
10 (C) 43.8
11 (CH2) 29.06
12 (CH) 75.11
13 (C) 137.38
14 (CH) 127.05
15 (CH2) 57.35
16 (CH3) 10.09
17 (CH2) 105.22
18 (CH3) 30.15
19 (C) 180.16
20 (CH3) 13.24