(2S,4aR)-1,1,4a,6-Tetramethyl-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol

(2S,4aR)-1,1,4a,6-Tetramethyl-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol

Common Name: (2S,4aR)-1,1,4a,6-Tetramethyl-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-25(5)18-19-27-29(6,7)28(31)20-21-30(26,27)8/h12,14,16,18,26-28,31H,9-11,13,15,17,19-21H2,1-8H3/b23-14+,24-16+/t26-,27?,28-,30+/m0/s1

InChIKey: InChIKey=BPGVNJWOXOAFIV-SJPCNALYSA-N

Formula: C30H50O1

Molecular Weight: 426.71852

Exact Mass: 426.386166

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Shiojima, K., Arai, Y., Masuda, K., Kamada, T., Ageta, H. Tetrahedron Lett (1983) 24, 5733-6

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) 37.3
2 (CH2) 27.3
3 (CH) 78.7
4 (C) 36.4
5 (CH) 54
6 (CH2) 23.4
7 (CH) 121.9
8 (C) 140
9 (CH) 49.5
10 (C) 38.5
11 (CH2) 27.3
12 (CH2) 30.1
13 (CH) 124.6
14 (C) 134.7
15 (CH2) 39.6
16 (CH2) 26.7
17 (CH) 124.4
18 (C) 134.6
19 (CH2) 39.6
20 (CH2) 26.5
21 (CH) 124.1
22 (C) 130.7
23 (CH3) 27.9
24 (CH3) 15.1
25 (CH3) 13.4
26 (CH3) 21.9
27 (CH3) 16
28 (CH3) 15.9
29 (CH3) 17.5
30 (CH3) 25.6