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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C25H36O4/c1-16(14-26)7-6-8-17(2)22-18(28)13-20-23(3)12-10-21(29)25(5,15-27)19(23)9-11-24(20,22)4/h6-8,14,19-21,27,29H,9-13,15H2,1-5H3/b8-6+,16-7+,22-17+/t19-,20+,21-,23+,24+,25-/m1/s1

InChIKey: InChIKey=NKQFQBAMQXBWCP-ULAPVRIJSA-N

Formula: C25H36O4

Molecular Weight: 400.551884

Exact Mass: 400.26136

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) 26.3
3 (CH) 71.4
4 (C) 43.2
5 (CH) 41.9
6 (CH2) 19.2
7 (CH2) 38.4
8 (C) 44.8
9 (CH) 50.1
10 (C) 34.9
11 (CH2) 36.6
12 (C) 206.8
13 (C) 149.5
14 (C) 139.5
15 (CH) 140.5
16 (CH) 128.1
17 (CH) 148.9
18 (CH3) 15.9
19 (CH3) 24.8
20 (C) 139.5
21 (CH3) 9.7
22 (CH) 194.9
23 (CH3) 19.9
24 (CH2) 67.8
25 (CH3) 24.2