methyl-9b-(epoxyangeloyloxy)-5a,6a-dihydroxy-2-oxo-3,4-dehydro-δ-guaien-12-oate

methyl-9b-(epoxyangeloyloxy)-5a,6a-dihydroxy-2-oxo-3,4-dehydro-δ-guaien-12-oate

Common Name: methyl-9b-(epoxyangeloyloxy)-5a,6a-dihydroxy-2-oxo-3,4-dehydro-δ-guaien-12-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H28O10/c1-9-8-14(25)16-11(3)17(32-21(28)22(6)12(4)33-22)18(31-13(5)24)15(10(2)20(27)30-7)19(26)23(9,16)29/h8,12,15,17-19,26,29H,2H2,1,3-7H3/t12?,15-,17-,18-,19+,22?,23-/m1/s1

InChIKey: InChIKey=ZIGGQJDFJHQSDS-CVTRJAQLSA-N

Formula: C23H28O10

Molecular Weight: 464.463316

Exact Mass: 464.168247

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El-Hamd, H.M.A., Ahmed, A.A., Wollenweber, E., Bohm, B., Asakawa, Y. Chem Pharm Bull (2006) 54, 152-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 133.3
2 (C) 193
3 (CH) 135.3
4 (C) 143.9
5 (C) 81.8
6 (CH) 77.2
7 (CH) 52.4
8 (CH) 70.6
9 (CH) 71.3
10 (C) 146.8
11 (C) 138.5
12 (C) 168.5
13 (CH2) 128.3
14 (CH3) 11.7
15 (CH3) 16.5
8a (C) 170
8b (CH3) 21
9a (C) 173.9
9b (C) 59.6
9c (CH) 60.2
9d (CH3) 13.7
9e (CH3) 19.3
12a (CH3) 52.4