1,2,3,3abeta,4,5,6,7-Octahydro-1beta-hydroxy-1,4beta,7alpha-trimethyl-8H-cyclopentacyclooctene-8-one

1,2,3,3abeta,4,5,6,7-Octahydro-1beta-hydroxy-1,4beta,7alpha-trimethyl-8H-cyclopentacyclooctene-8-one

Common Name: 1,2,3,3abeta,4,5,6,7-Octahydro-1beta-hydroxy-1,4beta,7alpha-trimethyl-8H-cyclopentacyclooctene-8-one

Synonyms: 1,2,3,3abeta,4,5,6,7-Octahydro-1beta-hydroxy-1,4beta,7alpha-trimethyl-8H-cyclopentacyclooctene-8-one

CAS Registry Number:

InChI: InChI=1S/C14H22O2/c1-9-4-5-10(2)13(15)8-12-11(9)6-7-14(12,3)16/h8-11,16H,4-7H2,1-3H3/b12-8+/t9-,10-,11+,14-/m0/s1

InChIKey: InChIKey=RUGUESBOXSHDTF-GJXCQEEASA-N

Formula: C14H22O2

Molecular Weight: 222.323809

Exact Mass: 222.16198

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Bardon, A., Kamiya, N., Toyota, M., Asakawa, Y. Phytochemistry (1999) 51, 281-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Dumortanes; 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 (CH) 47.2
2 (CH2) 29.8
3 (CH2) 39.5
4 (C) 80.5
5 (C) 167.5
6 (CH) 127.4
7 (C) 205.3
8 (CH) 42.4
9 (CH2) 28.3
10 (CH2) 29.7
11 (CH) 36.9
13 (CH3) 17.9
14 (CH3) 17
15 (CH3) 26.8