(1S,8aalpha)-1,2,3,4,4a,5,8,8a-Octahydro-8beta-hydroxy-1,4abeta-dimethyl-6-(hydroxymethyl)-5beta-[(E)-3-methyl-5-hydroxy-3-pentenyl]naphthalene-1beta-carboxylic acid

(1S,8aalpha)-1,2,3,4,4a,5,8,8a-Octahydro-8beta-hydroxy-1,4abeta-dimethyl-6-(hydroxymethyl)-5beta-[(E)-3-methyl-5-hydroxy-3-pentenyl]naphthalene-1beta-carboxylic acid

Common Name: (1S,8aalpha)-1,2,3,4,4a,5,8,8a-Octahydro-8beta-hydroxy-1,4abeta-dimethyl-6-(hydroxymethyl)-5beta-[(E)-3-methyl-5-hydroxy-3-pentenyl]naphthalene-1beta-carboxylic acid

Synonyms: (1S,8aalpha)-1,2,3,4,4a,5,8,8a-Octahydro-8beta-hydroxy-1,4abeta-dimethyl-6-(hydroxymethyl)-5beta-[(E)-3-methyl-5-hydroxy-3-pentenyl]naphthalene-1beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-13(7-10-21)5-6-15-14(12-22)11-16(23)17-19(15,2)8-4-9-20(17,3)18(24)25/h7,11,15-17,21-23H,4-6,8-10,12H2,1-3H3,(H,24,25)/b13-7+/t15-,16+,17+,19+,20-/m0/s1

InChIKey: InChIKey=PUHWMICUIXKFCL-FAGWWIHWSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lin, S.J., Rosazza, J.P. J Nat Prod (1998) 61, 922-6

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) 33.4
2 (CH2) 18
3 (CH2) 28.1
4 (C) 42.8
5 (CH) 51.1
6 (CH) 73
7 (CH) 119.5
8 (C) 147.1
9 (CH) 49.1
10 (C) 34.5
11 (CH2) 24.3
12 (CH2) 40.9
13 (C) 139.1
14 (CH) 124.3
15 (CH2) 59.4
16 (CH3) 16.4
17 (CH2) 64.3
18 (CH3) 24
19 (C) 182.2
20 (CH3) 18.1