19-N,N-dimethylcarbamoxy-13,17x,18-trihydroxystemarane

19-N,N-dimethylcarbamoxy-13,17x,18-trihydroxystemarane

Common Name: 19-N,N-dimethylcarbamoxy-13,17x,18-trihydroxystemarane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H39NO5/c1-20-8-5-9-22(13-25,14-29-19(27)24(3)4)18(20)7-6-15-10-21(2,28)16-11-23(15,20)12-17(16)26/h15-18,25-26,28H,5-14H2,1-4H3/t15-,16-,17?,18+,20-,21+,22+,23-/m0/s1

InChIKey: InChIKey=GREPVFAUHJVCDX-YLQGFSEWSA-N

Formula: C23H39N1O5

Molecular Weight: 409.560383

Exact Mass: 409.282823

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chen, A.R., Reese, P.B. Phytochemistry (2002) 59, 57-62

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemaranes; 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) 31.6
2 (CH2) 19.2
3 (CH2) 33.4
4 (C) 38.6
5 (CH) 50.2
6 (CH2) 22.7
7 (CH2) 29.9
8 (CH) 37.1
9 (C) 50.5
10 (C) 45.1
11 (CH2) 29.3
12 (CH) 48.3
13 (C) 72.5
14 (CH2) 39.2
15 (CH3) 29.7
16 (CH2) 65.8
17 (CH) 52.5
18 (CH2) 61.8
19 (CH2) 71.3
20 (CH3) 14.1
19a (C) 162.3
19b (CH3) 36.6
19c (CH3) 36.6