Antiquol B

Antiquol B

Common Name: Antiquol B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22+,24-,25-,26+,28+,29+,30-/m1/s1

InChIKey: InChIKey=WSPRAEIJBDUDRX-FDQCQRAHSA-N

Formula: C30H50O1

Molecular Weight: 426.71852

Exact Mass: 426.386166

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Akihisa, T., Kithsiri Wijeratne, E.M., Tokuda, H., Enjo, F., Toriumi, M., Kimura, Y., Koike, K., Nikaido, T., Tezuka, Y., Nishino, H. J Nat Prod (2002) 65, 158-62

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) 18.8
2 (CH2) 27.9
3 (CH) 76.4
4 (C) 41
5 (C) 142
6 (CH) 121.8
7 (CH2) 25.2
8 (CH) 44.5
9 (C) 35.1
10 (CH) 49.4
11 (CH2) 35.7
12 (CH2) 30.3
13 (C) 46.1
14 (C) 47.4
15 (CH2) 34.2
16 (CH2) 28.2
17 (CH) 49.9
18 (CH3) 15.4
19 (CH3) 16.5
20 (CH) 35.2
21 (CH3) 19
22 (CH2) 35.4
23 (CH2) 24.6
24 (CH) 125.2
25 (C) 130.1
26 (CH3) 25.8
27 (CH3) 17.7
28 (CH3) 29
29 (CH3) 25.5
30 (CH3) 18.9