(1R,4S,10S,11R,12S)-4-Isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione

(1R,4S,10S,11R,12S)-4-Isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione

Common Name: (1R,4S,10S,11R,12S)-4-Isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H30O5/c1-11(2)24-13(25)10-12(3)15(24)14-16(20(24)26)23-9-7-8-22(4,5)19(23)18(17(14)28-6)29-21(23)27/h10-11,15,17-19H,7-9H2,1-6H3/t15-,17+,18-,19+,23+,24-/m1/s1

InChIKey: InChIKey=WQSUUGYPFJWLBY-ZCUVJPFNSA-N

Formula: C24H30O5

Molecular Weight: 398.492909

Exact Mass: 398.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Luis, J.G., Lahlou, E., Andres, L.S., Sood, G.H.N., Ripoll, M.M. Tetrahedron Lett (1996) 37, 4213-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Apiananes; 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) 23.12
2 (CH2) 17.97
3 (CH2) 38.17
4 (C) 31.38
5 (CH) 50.96
6 (CH) 73.07
7 (CH) 77.15
8 (C) 164.15
9 (C) 144.3
10 (C) 44.93
11 (C) 197.07
12 (C) 73.96
13 (CH) 54.45
14 (C) 175.93
15 (CH) 131.13
16 (C) 200.38
17 (CH) 33.81
18 (CH3) 17.61
19 (CH3) 17.45
20 (CH3) 21.67
21 (CH3) 30.78
22 (C) 175.83
23 (CH3) 19.51
7a (CH3) 58.44