Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H41N5O/c1-19(13-16-32-18-31(6)25-23(32)24(30-33-7)28-17-29-25)12-15-27(5)20(2)10-11-21-22(27)9-8-14-26(21,3)4/h9,13,17-18,20-21H,8,10-12,14-16H2,1-7H3/b19-13+/t20-,21+,27+/m1/s1

InChIKey: InChIKey=MURVKNQAMQEJCU-XTBWPWFWSA-N

Formula: C27H41N5O1

Molecular Weight: 451.648561

Exact Mass: 451.331111

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Garcia, N., Sexmero, M.J., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2005) 61, 11672-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) 120
2 (CH2) 23.5
3 (CH2) 33.2
4 (C) 31.4
5 (CH) 43.4
6 (CH2) 23
7 (CH2) 29.1
8 (CH) 39
9 (C) 42.9
10 (C) 141.3
11 (CH2) 37.1
12 (CH2) 34.4
13 (C) 147.6
14 (CH) 114.9
15 (CH2) 48.4
16 (CH3) 17.4
17 (CH3) 15.6
18 (CH3) 25.9
19 (CH3) 28.3
20 (CH3) 22.3
2' (CH) 148.7
4' (C) 141.2
5' (C) 110.4
6' (C) 135.9
8' (CH) 137.2
6'a (CH3) 62.4
9'a (CH3) 32.2