15-Acetoxyeremantholide B

15-Acetoxyeremantholide B

Common Name: 15-Acetoxyeremantholide B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O8/c1-6-11(2)22(26)21(5)18-15(28-19(21)25)7-13(10-27-12(3)23)14-8-17(24)20(4,29-14)9-16(18)30-22/h7-8,11,15-16,18,26H,6,9-10H2,1-5H3/b13-7-/t11?,15-,16+,18+,20-,21-,22-/m1/s1

InChIKey: InChIKey=UNFGCPCUYMXWDG-OOQPEQBFSA-N

Formula: C22H28O8

Molecular Weight: 420.45377

Exact Mass: 420.178418

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vichnewski, W., Skrochy, C.A., Maria, A., Nasi, T.T., Lopes, J.L.C., Herz, W. Phytochemistry (1999) 50, 317-20

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) 205.5
2 (CH) 105.8
3 (C) 183.2
4 (C) 127.4
5 (CH) 136.3
6 (CH) 79
7 (CH) 63.9
8 (CH) 75.4
9 (CH2) 43.9
10 (C) 88.2
11 (C) 60.2
12 (C) 175.5
13 (CH3) 20.8
14 (CH3) 22.7
15 (CH2) 63.3
8a (C) 108.1
8b (CH) 39.4
8c (CH2) 22.7
8d (CH3) 12
8ba (CH3) 13
15a (C) 170.2
15b (CH3) 16.9