Common Name: Petalostigmone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-6-18(3)11-14-7-8-19(4)13(2)9-15(21)10-16(19)20(14,5)12-17(18)22/h6,9-10,14,17,22H,1,7-8,11-12H2,2-5H3/t14-,17+,18+,19-,20-/m0/s1
InChIKey: InChIKey=BHDFZMZJKYJOTB-UYYRZJCPSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grace, M.H., Jin, Y., Wilson, G.R., Coates, R.M. Phytochemistry (2006) 67, 1708-15
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxylanes; 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)
Position | PPM |
---|---|
1 (CH) | 123.3 |
2 (C) | 187 |
3 (CH) | 125.9 |
4 (C) | 167.3 |
5 (C) | 43.4 |
6 (CH2) | 39.3 |
7 (CH2) | 24.5 |
8 (CH) | 39.9 |
9 (C) | 41.7 |
10 (C) | 173.6 |
11 (CH2) | 41.3 |
12 (CH) | 71.9 |
13 (C) | 42.3 |
14 (CH2) | 35.8 |
15 (CH) | 147.3 |
16 (CH2) | 112.9 |
17 (CH3) | 14.9 |
18 (CH3) | 19.2 |
19 (CH3) | 27.6 |
20 (CH3) | 19.4 |