1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene

1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene

Common Name: 1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32/c1-13(2)7-6-8-14(3)16-11-12-20(5)17-10-9-15(4)19(20)18(16)17/h7,9,14,16-19H,6,8,10-12H2,1-5H3/t14-,16+,17+,18+,19-,20-/m1/s1

InChIKey: InChIKey=ZPYIBBZFPVTBNG-BBSFQMCSSA-N

Formula: C20H32

Molecular Weight: 272.468822

Exact Mass: 272.250401

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kolesnikova, S.A., Kalinovsky, A.I., Fedorov, S.N., Shubina, L.K., Stonik, V.A. Phytochemistry (2006) 67, 2115-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) 39.3
2 (CH2) 36.2
3 (CH2) 20.3
4 (CH) 42.9
5 (CH) 54.8
6 (C) 143.9
7 (CH) 116
8 (CH2) 30
9 (CH) 37
10 (CH) 45.2
11 (CH) 37.3
12 (CH2) 34.2
13 (CH2) 25.9
14 (CH) 125.1
15 (C) 131
16 (CH3) 25.7
17 (CH3) 17.6
18 (CH3) 15.5
19 (CH3) 23.1
20 (CH3) 19.2