Lancerotriol diacetate-6-p-hydroxybenzoate

Lancerotriol diacetate-6-p-hydroxybenzoate

Common Name: Lancerotriol diacetate-6-p-hydroxybenzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O7/c1-15(2)26(30)12-11-25(6)14-22(32-18(5)28)16(3)13-21(23(25)26)33-24(29)19-7-9-20(10-8-19)31-17(4)27/h7-10,13,15,21-23,30H,11-12,14H2,1-6H3/t21-,22-,23?,25+,26+/m0/s1

InChIKey: InChIKey=NFDSTTAGNUBZJX-XJVIYFOESA-N

Formula: C26H34O7

Molecular Weight: 458.544953

Exact Mass: 458.230453

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., Abdel-Razek, M.H., Nassar, M.I., Izumi, S., Ohta, S., Hirata, T. Phytochemistry (2001) 57, 513-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) 42
2 (CH2) 41.6
3 (CH2) 31.6
4 (C) 86.2
5 (CH) 54.5
6 (CH) 71.8
7 (CH) 127.4
8 (C) 135.8
9 (CH) 72.9
10 (CH2) 46.2
11 (CH) 36.8
12 (CH3) 17.2
13 (CH3) 18.2
14 (CH3) 23.5
15 (CH3) 18.7
1' (C) 166.1
2' (C) 127.6
3' (CH) 131.2
4' (CH) 121.6
5' (C) 154.3
6' (CH) 121.6
7' (CH) 131.2
9a (C) 170.3
9b (CH3) 21
5'a (C) 168.7
5'b (CH3) 21