ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate

ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate

Common Name: ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H45NO3/c1-8-10-11-18-27-22(28)29-21-14-16-25(6)19(23(21,3)4)13-17-26(7)20(25)12-15-24(5,9-2)30-26/h9,19-21H,2,8,10-18H2,1,3-7H3,(H,27,28)/t19-,20+,21-,24+,25-,26+/m1/s1

InChIKey: InChIKey=RXFOVQNAALQYQU-WXWOAPRPSA-N

Formula: C26H45N1O3

Molecular Weight: 419.641425

Exact Mass: 419.339944

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kalpoutzakis, E., Aligiannis, N., Mitaku, S., Chinou, L., Charvala, C., Skaltsounis, A.L. Chem Pharm Bull (2001) 49, 814-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 24.1
3 (CH) 80.9
4 (C) 38.1
5 (CH) 55.4
6 (CH2) 19.5
7 (CH2) 42.9
8 (C) 75.8
9 (CH) 58.2
10 (C) 36.5
11 (CH2) 16
12 (CH2) 34.7
13 (C) 73.6
14 (CH) 147.6
15 (CH2) 109.7
16 (CH3) 32.7
17 (CH3) 23.9
18 (CH3) 28
19 (CH3) 16.4
20 (CH3) 16
3a (C) 156.8
3b (CH2) 41
3c (CH2) 29.8
3d (CH2) 29
3e (CH2) 22.4
3f (CH3) 14.1