Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate

Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate

Common Name: Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O6/c1-19(2)15-11-17(24)21(12-27-21)14(20(15,3)9-7-16(19)23)6-5-13(8-10-22)18(25)26-4/h5,14-17,22-24H,6-12H2,1-4H3/b13-5-/t14-,15+,16+,17+,20-,21-/m1/s1

InChIKey: InChIKey=VCHRMQOUVAQSIN-VAOGIQTASA-N

Formula: C21H34O6

Molecular Weight: 382.491869

Exact Mass: 382.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tomla C., Kamnaing P., Ayimele G.A., Tanifum E.A., Tsopmo A., Tane P., Ayafor J.F., Connolly J.D. Phytochemistry (2002) 60, 197-200

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) 37.7
2 (CH2) 27.5
3 (CH) 78.9
4 (C) 39.3
5 (CH) 51.8
6 (CH2) 30.6
7 (CH) 69.5
8 (C) 60
9 (CH) 51.8
10 (C) 39.5
11 (CH2) 21.9
12 (CH) 146.7
13 (C) 129.5
14 (CH2) 31.4
15 (CH2) 62
16 (C) 168.7
17 (CH2) 45.2
18 (CH3) 27.5
19 (CH3) 15.8
20 (CH3) 15.1
16a (CH3) 52.4