Cabraleadiol

Cabraleadiol

Common Name: Cabraleadiol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19?,20-,21-,22?,23+,24-,27-,28+,29+,30-/m0/s1

InChIKey: InChIKey=RQBNSDSKUAGBOI-ZYAOYQCISA-N

Formula: C30H52O3

Molecular Weight: 460.733211

Exact Mass: 460.391646

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hisham, A., Bai, M.D.A., Fujimoto, Y., Hara, N., Shimada, H. Magn Reson Chem (1996) 34, 146-50

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) 25.3
3 (CH) 76.2
4 (C) 37.6
5 (CH) 49.5
6 (CH2) 18.2
7 (CH2) 35.1
8 (C) 40.6
9 (CH) 50.6
10 (C) 37.2
11 (CH2) 21.6
12 (CH2) 27
13 (CH) 42.7
14 (C) 50.1
15 (CH2) 31.4
16 (CH2) 25.8
17 (CH) 49.8
18 (CH3) 15.5
19 (CH3) 16
20 (C) 86.5
21 (CH3) 27.1
22 (CH2) 34.7
23 (CH2) 26.3
24 (CH) 86.2
25 (C) 70.2
26 (CH3) 27.8
27 (CH3) 24
28 (CH3) 28.3
29 (CH3) 22.1
30 (CH3) 16.5