2a-(N,N-dimethylcarbamoxy)-7a,13-dihydroxystemodane

2a-(N,N-dimethylcarbamoxy)-7a,13-dihydroxystemodane

Common Name: 2a-(N,N-dimethylcarbamoxy)-7a,13-dihydroxystemodane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H39NO4/c1-20(2)12-15(28-19(26)24(5)6)13-21(3)18(20)10-17(25)16-9-14-11-23(16,21)8-7-22(14,4)27/h14-18,25,27H,7-13H2,1-6H3/t14-,15-,16+,17+,18-,21-,22-,23+/m0/s1

InChIKey: InChIKey=XRGOEIKJYATFHL-MHEUMVOXSA-N

Formula: C23H39N1O4

Molecular Weight: 393.560978

Exact Mass: 393.287909

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2006) 67, 1088-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemodanes; 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) 42.5
2 (CH) 70.6
3 (CH2) 47.1
4 (C) 34.7
5 (CH) 44.5
6 (CH2) 31.2
7 (CH) 79
8 (CH) 46.5
9 (C) 52
10 (C) 40.2
11 (CH2) 28.1
12 (CH2) 32.6
13 (C) 72.2
14 (CH) 46.3
15 (CH2) 36.5
16 (CH2) 31.7
17 (CH3) 27.8
18 (CH3) 34.5
19 (CH3) 23.7
20 (CH3) 19.8
2a (C) 157.1
2b (CH3) 36.1
2c (CH3) 36.1