(2E,4E)-4-[(3aS,5aR,6S,7R,9aR,9bS)-7-Hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2-pentenal

(2E,4E)-4-[(3aS,5aR,6S,7R,9aR,9bS)-7-Hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2-pentenal

Common Name: (2E,4E)-4-[(3aS,5aR,6S,7R,9aR,9bS)-7-Hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2-pentenal

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O4/c1-14(6-5-11-23)19-15(25)12-17-20(2)10-8-18(26)22(4,13-24)16(20)7-9-21(17,19)3/h5-6,11,16-18,24,26H,7-10,12-13H2,1-4H3/b6-5+,19-14-/t16-,17+,18-,20+,21+,22-/m1/s1

InChIKey: InChIKey=JPMWBEHLCOISNJ-ICFNOBKFSA-N

Formula: C22H32O4

Molecular Weight: 360.487914

Exact Mass: 360.23006

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Bourguet-Kondracki, M.L., Longeon, A., Debitus, C., Guyot, M. Tetrahedron Lett (2000) 41, 3087-90

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Isomalabaricanes; 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) 28.9
2 (CH2) 26.2
3 (CH) 71.3
4 (C) 43.2
5 (CH) 41.8
6 (CH2) 18.3
7 (CH2) 41.8
8 (C) 45.2
9 (CH) 49.8
10 (C) 35.1
11 (CH2) 35.7
12 (C) 207.8
13 (C) 153.1
14 (C) 138.6
15 (CH) 151.2
16 (CH) 132.5
17 (CH) 191.8
18 (CH3) 14.4
19 (CH3) 19.8
23 (CH3) 19.8
24 (CH2) 67.9
25 (CH3) 26.1