Shoreic acid

Shoreic acid

Common Name: Shoreic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21?,22-,23+,24-,27-,28+,29+,30-/m0/s1

InChIKey: InChIKey=ZKBGKWZSOPPDSD-JODHIMNBSA-N

Formula: C30H50O4

Molecular Weight: 474.716734

Exact Mass: 474.37091

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) 28.3
2 (CH2) 33.9
3 (C) 179.4
4 (C) 147.5
5 (CH) 41.2
6 (CH2) 24.6
7 (CH2) 34.3
8 (C) 40.1
9 (CH) 50.8
10 (C) 39.1
11 (CH2) 22.3
12 (CH2) 26.9
13 (CH) 42.9
14 (C) 50.4
15 (CH2) 31.5
16 (CH2) 25.8
17 (CH) 49.8
18 (CH3) 15.3
19 (CH3) 20.2
20 (C) 86.6
21 (CH3) 27.1
22 (CH2) 34.8
23 (CH2) 26.3
24 (CH) 86.3
25 (C) 70.4
26 (CH3) 27.8
27 (CH3) 24
28 (CH2) 113.4
29 (CH3) 23.2
30 (CH3) 16.3