Cabralealactone

Cabralealactone

Common Name: Cabralealactone

Synonyms: Cabralealactone

CAS Registry Number:

InChI: InChI=1S/C27H42O3/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/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1

InChIKey: InChIKey=NOLGXQBEFHYZHI-QPBHWVAKSA-N

Formula: C27H42O3

Molecular Weight: 414.621596

Exact Mass: 414.313395

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9

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) 39.9
2 (CH2) 34.5
3 (C) 217.8
4 (C) 47.4
5 (CH) 55.4
6 (CH2) 19.6
7 (CH2) 34.1
8 (C) 40.3
9 (CH) 49.9
10 (C) 36.8
11 (CH2) 21.9
12 (CH2) 25
13 (CH) 43.3
14 (C) 50.2
15 (CH2) 31.2
16 (CH2) 26.9
17 (CH) 49.3
18 (CH3) 16
19 (CH3) 15
20 (C) 90
21 (CH3) 25.5
22 (CH2) 29.2
23 (CH2) 31.1
24 (C) 176.7
28 (CH3) 26.7
29 (CH3) 21
30 (CH3) 16.2