Common Name: (1R,3R,4S,5S,7S,8R,9S,10R,11R)-7,8,9-Triacetyloxylongipinan-1-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-9-8-13(25)15-16-14(9)21(15,7)19(28-12(4)24)17(26-10(2)22)18(20(16,5)6)27-11(3)23/h9,13-19,25H,8H2,1-7H3/t9-,13-,14-,15+,16-,17-,18-,19-,21-/m1/s1
InChIKey: InChIKey=DFBRMSUZYLADCT-HMQVNGEBSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Cerda-Garcia-Rojas, C.M., Guzman, R., Armenta, C., Hernandez, J.D., Joseph-Nathan, P. J Nat Prod (2002) 65, 1540-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Longipinanes; 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)
Position | PPM |
---|---|
1 (CH) | 49.4 |
2 (CH) | 44.9 |
3 (CH) | 30.4 |
4 (CH2) | 35.8 |
5 (CH) | 73.5 |
6 (CH) | 42.6 |
7 (C) | 43.5 |
8 (CH) | 76.4 |
9 (CH) | 69.8 |
10 (CH) | 71.8 |
11 (C) | 34.8 |
12 (CH3) | 27.6 |
13 (CH3) | 20.2 |
14 (CH3) | 20.9 |
15 (CH3) | 21.4 |
8a (C) | 170.2 |
8b (CH3) | 21.4 |
9a (C) | 169.3 |
9b (CH3) | 21.3 |
10a (C) | 169 |
10b (CH3) | 21.2 |