(1aS)-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-Dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene-5beta-acetaldehyde

(1aS)-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-Dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene-5beta-acetaldehyde

Common Name: (1aS)-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-Dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene-5beta-acetaldehyde

Synonyms: (1aS)-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-Dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene-5beta-acetaldehyde

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-18(10-11-21)8-7-16-14(12-18)4-5-17-19(16,2)9-6-15-13-20(15,17)3/h7,11,14-15,17H,4-6,8-10,12-13H2,1-3H3/t14-,15-,17+,18-,19+,20+/m1/s1

InChIKey: InChIKey=BCKQSEXULHMIJG-ZPNQOMQUSA-N

Formula: C20H30O1

Molecular Weight: 286.452345

Exact Mass: 286.229666

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kurata, K., Taniguchi, K., Agatsuma, Y., Suzuki, M. Phytochemistry (1998) 47, 363-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Paraguaranes; 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 (CH2) 31.2
2 (CH2) 19.5
3 (CH) 19.3
4 (C) 16.3
5 (CH) 50.1
6 (CH2) 25.5
7 (CH2) 35.8
8 (CH) 31
9 (C) 147.3
10 (C) 37.5
11 (CH) 114.8
12 (CH2) 39
13 (C) 31.7
14 (CH2) 43.7
15 (CH2) 50.2
16 (CH) 204
17 (CH3) 28.6
18 (CH2) 21.4
19 (CH3) 24.1
20 (CH3) 18