(3aR)-3a,4,5,6,7,7aalpha-Hexahydro-3,3abeta,6beta,7-tetramethyl-7alpha-[(R)-3-hydroxy-3-methyl-4-pentenyl]-1H-indene-2-carboxylic acid

(3aR)-3a,4,5,6,7,7aalpha-Hexahydro-3,3abeta,6beta,7-tetramethyl-7alpha-[(R)-3-hydroxy-3-methyl-4-pentenyl]-1H-indene-2-carboxylic acid

Common Name: (3aR)-3a,4,5,6,7,7aalpha-Hexahydro-3,3abeta,6beta,7-tetramethyl-7alpha-[(R)-3-hydroxy-3-methyl-4-pentenyl]-1H-indene-2-carboxylic acid

Synonyms: (3aR)-3a,4,5,6,7,7aalpha-Hexahydro-3,3abeta,6beta,7-tetramethyl-7alpha-[(R)-3-hydroxy-3-methyl-4-pentenyl]-1H-indene-2-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-7-18(4,23)10-11-19(5)13(2)8-9-20(6)14(3)15(17(21)22)12-16(19)20/h7,13,16,23H,1,8-12H2,2-6H3,(H,21,22)/t13-,16-,18+,19+,20+/m1/s1

InChIKey: InChIKey=SOBYMLTWZSESRW-XKBGQOJESA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bomm, M.D., Zukerman-Schpector, J., Lopes, L.M.X. Phytochemistry (1999) 50, 455-61

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Clerodanes; 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) 29.4
2 (C) 125.6
3 (C) 171
4 (C) 168.7
5 (C) 50.6
6 (CH2) 34.4
7 (CH2) 28.3
8 (CH) 37.1
9 (C) 37.5
10 (CH) 53.9
11 (CH2) 33.5
12 (CH2) 35.5
13 (C) 73
14 (CH) 144.9
15 (CH2) 111.9
16 (CH3) 27.8
17 (CH3) 15
18 (CH3) 11.7
19 (CH3) 16.9
20 (CH3) 18.2