O-[(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl] dimethylcarbamothioate

O-[(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl] dimethylcarbamothioate

Common Name: O-[(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl] dimethylcarbamothioate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H35NO2S/c1-16-8-11-20-22(2,3)12-7-13-24(20)23(16,4)15-17-14-18(9-10-19(17)27-24)26-21(28)25(5)6/h9-10,14,16,20H,7-8,11-13,15H2,1-6H3/t16-,20-,23+,24-/m0/s1

InChIKey: InChIKey=DRTPUUQCYHYPIT-FOEAQLGISA-N

Formula: C24H35N1O2S1

Molecular Weight: 401.607226

Exact Mass: 401.23885

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Hu, J.F., Schetz, J.A., Kelly, M., Peng, J.N., Ang, K.K., Flotow, H., Leong, C.Y., Ng, S.B., Buss, A.D., Wilkins, S.P., Hamann, M.T. J Nat Prod (2002) 65, 476-80

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) 29.69
2 (CH2) 18.74
3 (CH2) 34.21
4 (C) 34.31
5 (CH) 44.69
6 (CH2) 22.61
7 (CH2) 28.26
8 (CH) 39.74
9 (C) 38.39
10 (C) 83.34
11 (CH3) 32.34
12 (CH3) 20.59
13 (CH3) 17.73
14 (CH3) 30.33
15 (CH2) 37.6
1' (C) 122.11
2' (C) 147.08
3' (CH) 122.69
4' (CH) 117.18
5' (C) 149.82
6' (CH) 121.27
5'a (C) 188.75
5'b (CH3) 38.99
5'c (CH3) 43.65