(2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

(2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

Common Name: (2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

Synonyms: (2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

CAS Registry Number:

InChI: InChI=1S/C20H34O4/c1-14(12-17(22)23)6-7-16-19(3)10-5-9-18(2,13-21)15(19)8-11-20(16,4)24/h12,15-16,21,24H,5-11,13H2,1-4H3,(H,22,23)/b14-12+/t15-,16+,18-,19-,20+/m0/s1

InChIKey: InChIKey=IYSBWLRXTOIYFZ-KBLZDMJYSA-N

Formula: C20H34O4

Molecular Weight: 338.482323

Exact Mass: 338.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hegazy, M.E.F., Ohta, S., Abdel-latif, F.F., Albadry, H.A., Ohta, E., Pare, P.W., Hirata, T. J Nat Prod (2008) 71, 1070-3

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) 39.3
2 (CH2) 17.8
3 (CH2) 35.2
4 (C) 37.7
5 (CH) 49.2
6 (CH2) 20.3
7 (CH2) 44.4
8 (C) 74.2
9 (CH) 61.4
10 (C) 39.1
11 (CH2) 23.6
12 (CH2) 44.5
13 (C) 163.4
14 (CH) 114.5
15 (C) 170.4
16 (CH3) 19.4
17 (CH3) 24
18 (CH2) 71.9
19 (CH3) 17.4
20 (CH3) 15.9