Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Common Name: Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21-/m1/s1

InChIKey: InChIKey=BNYWADFAGBPZJB-YIEDZISJSA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93

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) 18.1
3 (CH2) 42
4 (C) 33.4
5 (CH) 55.9
6 (CH2) 18.2
7 (CH2) 42.3
8 (C) 73.1
9 (CH) 58.8
10 (C) 39.2
11 (CH2) 23.6
12 (CH2) 44.6
13 (C) 160.7
14 (CH) 114.9
15 (C) 167.3
16 (CH3) 19
17 (CH3) 30.5
18 (CH3) 21.6
19 (CH3) 33.3
20 (CH3) 15.1
15a (CH3) 50.8