(5aalpha,9bbeta)-3-[(1E,2E)-1-Methyl-4-oxo-2-butene-1-ylidene]-3aalpha,6alpha,9abeta-trimethyl-6-(hydroxymethyl)-7alpha-hydroxydodecahydro-1H-cyclopenta[a]naphthalene-2-one

(5aalpha,9bbeta)-3-[(1E,2E)-1-Methyl-4-oxo-2-butene-1-ylidene]-3aalpha,6alpha,9abeta-trimethyl-6-(hydroxymethyl)-7alpha-hydroxydodecahydro-1H-cyclopenta[a]naphthalene-2-one

Common Name: (5aalpha,9bbeta)-3-[(1E,2E)-1-Methyl-4-oxo-2-butene-1-ylidene]-3aalpha,6alpha,9abeta-trimethyl-6-(hydroxymethyl)-7alpha-hydroxydodecahydro-1H-cyclopenta[a]naphthalene-2-one

Synonyms: (5aalpha,9bbeta)-3-[(1E,2E)-1-Methyl-4-oxo-2-butene-1-ylidene]-3aalpha,6alpha,9abeta-trimethyl-6-(hydroxymethyl)-7alpha-hydroxydodecahydro-1H-cyclopenta[a]naphthalene-2-one

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-BMKALOEQSA-N

Formula: C22H32O4

Molecular Weight: 360.487914

Exact Mass: 360.23006

NMR Solvent: CDCl3

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) 38.1
8 (C) 44.8
9 (CH) 49.8
10 (C) 35.1
11 (CH2) 38.4
12 (C) 207.8
13 (C) 152.3
14 (C) 137.5
15 (CH) 151.3
16 (CH) 132.5
17 (CH) 190.6
18 (CH3) 15.9
19 (CH3) 19.8
23 (CH3) 19.8
24 (CH2) 67.9
25 (CH3) 24.2