(1R,4S,7S,8R,10S,11R,12S)-7-Hydroxy-4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadec-2(9)-ene-3,5,17-trione

(1R,4S,7S,8R,10S,11R,12S)-7-Hydroxy-4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadec-2(9)-ene-3,5,17-trione

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1

InChIKey: InChIKey=RFOCIKIRPCYOTG-QYYSKZFYSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

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
20 (CH3) 31.43
19 (CH3) 18.38
18 (CH3) 17.16
17 (CH) 36.08
16 (C) 208.06
15 (CH2) 57.21
14 (C) 74.25
13 (CH) 56.62
12 (C) 73.92
11 (C) 198.16
10 (C) 44.85
9 (C) 143.86
8 (C) 163.31
7 (CH) 76.83
6 (CH) 72.75
5 (CH) 51.24
4 (C) 30.8
3 (CH2) 38.05
2 (CH2) 17.91
1 (CH2) 22.91
21 (CH3) 21.74
22 (C) 175.87
23 (CH3) 29.72
7a (CH3) 58.78