Candidalactone

Candidalactone

Common Name: Candidalactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-6-19(4)10-13(16(21)22)20(5)12-8-7-9-18(2,3)15(12)17(23)24-14(20)11-19/h6,13-14H,1,7-11H2,2-5H3,(H,21,22)/t13-,14-,19+,20-/m0/s1

InChIKey: InChIKey=NTAKAWMWMVZWTA-LHHVKLHASA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Valente, L.M., Gunatilaka, A.A., Kingston, D.G., Patitucci, M.L., Pinto, A.C. J Nat Prod (1997) 60, 478-81

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) 26.1
2 (CH2) 18.4
3 (CH2) 39.6
4 (C) 33.3
5 (C) 131.7
6 (C) 163.4
7 (C) 179.2
8 (CH) 43.7
9 (C) 41.9
10 (C) 159.5
11 (CH) 77.4
12 (CH2) 37.8
13 (C) 36.8
14 (CH2) 37.1
15 (CH) 144.2
16 (CH2) 113.9
17 (CH3) 31
18 (CH3) 27.1
19 (CH3) 28.7
20 (CH3) 11.1