(1Z,3aS,9S)-1-Isopropyl-3a-methyl-6,10-dimethylene-9-(hydroperoxy)-3a,4,7,8,9,10,11,12-octahydrocyclopentacycloundecene-2,5(3H,6H)-dione

(1Z,3aS,9S)-1-Isopropyl-3a-methyl-6,10-dimethylene-9-(hydroperoxy)-3a,4,7,8,9,10,11,12-octahydrocyclopentacycloundecene-2,5(3H,6H)-dione

Common Name: (1Z,3aS,9S)-1-Isopropyl-3a-methyl-6,10-dimethylene-9-(hydroperoxy)-3a,4,7,8,9,10,11,12-octahydrocyclopentacycloundecene-2,5(3H,6H)-dione

Synonyms: (1Z,3aS,9S)-1-Isopropyl-3a-methyl-6,10-dimethylene-9-(hydroperoxy)-3a,4,7,8,9,10,11,12-octahydrocyclopentacycloundecene-2,5(3H,6H)-dione

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-12(2)19-15-8-6-14(4)18(24-23)9-7-13(3)16(21)10-20(15,5)11-17(19)22/h12,18,23H,3-4,6-11H2,1-2,5H3/t18-,20-/m0/s1

InChIKey: InChIKey=LYXNFJWTTHPWSB-ICSRJNTNSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Duh, C.Y., Chia, M.C., Wang, S.K., Chen, H.J., El-Gamal, A.A., Dai, C.F. J Nat Prod (2001) 64, 1028-31

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) 42.3
2 (CH2) 44.3
3 (C) 200.3
4 (C) 150.6
5 (CH2) 33.7
6 (CH2) 29.5
7 (CH) 89
8 (C) 144.7
9 (CH2) 24.2
10 (CH2) 27.8
11 (C) 176.8
12 (C) 144.8
13 (C) 208.1
14 (CH2) 49.8
15 (CH3) 28.9
16 (CH2) 122.2
17 (CH2) 115.4
18 (CH) 26.2
19 (CH3) 20.2
20 (CH3) 19.9