(2S,4aS,5R,6R,8aR)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]decahydronaphthalene-2,6-diol

(2S,4aS,5R,6R,8aR)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]decahydronaphthalene-2,6-diol

Common Name: (2S,4aS,5R,6R,8aR)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]decahydronaphthalene-2,6-diol

Synonyms: (2S,4aS,5R,6R,8aR)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]decahydronaphthalene-2,6-diol

CAS Registry Number:

InChI: InChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-29(7)20-19-27(31)28(5,6)25(29)18-21-30(26,8)32/h12,14,16,25-27,31-32H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+/t25-,26+,27-,29-,30+/m0/s1

InChIKey: InChIKey=QGERZRKJXVVRQA-NJACTVBXSA-N

Formula: C30H52O2

Molecular Weight: 444.733806

Exact Mass: 444.396731

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Matsuda, H., Morikawa, T., Ando, S., Oominami, H., Murakami, T., Kimura, I., Yoshikawa, M. Bioorg Med Chem (2004) 12, 3037-46

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Polypodanes; 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) 37.8
2 (CH2) 27.1
3 (CH) 78.6
4 (C) 38.7
5 (CH) 55
6 (CH2) 20.2
7 (CH2) 44.3
8 (C) 73.7
9 (CH) 61.1
10 (C) 38.7
11 (CH2) 25.5
12 (CH2) 31.3
13 (CH) 124.9
14 (C) 135.1
15 (CH2) 39.6
16 (CH2) 26.6
17 (CH) 124.2
18 (C) 134.8
19 (CH2) 39.7
20 (CH2) 26.7
21 (CH) 124.4
22 (C) 131
23 (CH3) 28.1
24 (CH3) 15.3
25 (CH3) 15.5
26 (CH3) 23.7
27 (CH3) 16.2
28 (CH3) 16
29 (CH3) 17.7
30 (CH3) 25.7