Cabraleahydroxylactone

Cabraleahydroxylactone

Common Name: Cabraleahydroxylactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1

InChIKey: InChIKey=AHDUWGQSZYSNEY-HUOCPXEISA-N

Formula: C27H44O3

Molecular Weight: 416.637477

Exact Mass: 416.329045

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, B.N., Chai, H., Mi, Q., Riswan, S., Kardono, L.B.S., Afriastini, J.J., Santarsiero, B.D., Mesecar, A.D., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. Bioorg Med Chem (2006) 14, 960-72

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 33.6
2 (CH2) 25.4
3 (CH) 76.1
4 (C) 37.6
5 (CH) 49.4
6 (CH2) 18.2
7 (CH2) 35.1
8 (C) 50.3
9 (CH) 50.3
10 (C) 37.2
11 (CH2) 26.8
12 (CH2) 21.2
13 (CH) 43.1
14 (C) 40.5
15 (CH2) 31.2
16 (CH2) 25
17 (CH) 49.3
18 (CH3) 16.3
19 (CH3) 15.5
20 (C) 90.2
21 (CH3) 25.3
22 (CH2) 31.1
23 (CH2) 29.2
24 (C) 176.8
28 (CH3) 28.3
29 (CH3) 22.1
30 (CH3) 16