(3S,3aS,6E,10E)-3-Isopropyl-3a,6,10-trimethyl-2,3a,4,8,9,12-hexahydrocyclopenta[11]annulen-5(3H)-one

(3S,3aS,6E,10E)-3-Isopropyl-3a,6,10-trimethyl-2,3a,4,8,9,12-hexahydrocyclopenta[11]annulen-5(3H)-one

Common Name: (3S,3aS,6E,10E)-3-Isopropyl-3a,6,10-trimethyl-2,3a,4,8,9,12-hexahydrocyclopenta[11]annulen-5(3H)-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-14(2)18-12-11-17-10-9-15(3)7-6-8-16(4)19(21)13-20(17,18)5/h8-9,11,14,18H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+/t18-,20+/m0/s1

InChIKey: InChIKey=CBNJKHFHKYZNCB-LFWPEKJKSA-N

Formula: C20H30O1

Molecular Weight: 286.452345

Exact Mass: 286.229666

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iguchi, K., Fukaya, T., Yasumoto, A., Watanabe, K. J Nat Prod (2004) 67, 577-83

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neodolabellanes; 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) 147.5
2 (CH2) 28.2
3 (CH) 125.2
4 (C) 134.9
5 (CH2) 37.9
6 (CH2) 25.7
7 (CH) 140.3
8 (C) 138.2
9 (C) 205.6
10 (CH2) 52.8
11 (C) 52.7
12 (CH) 51.9
13 (CH2) 30.9
14 (CH) 127.9
15 (CH3) 22
16 (CH3) 15.2
17 (CH3) 12.3
18 (CH) 28.5
19 (CH3) 18.2
20 (CH3) 22.8