(1(10)E,4Z)-8b-(Angeloxyoxy)-9a-ethoxy-6a,15-dihydroxy-13-methoxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone

(1(10)E,4Z)-8b-(Angeloxyoxy)-9a-ethoxy-6a,15-dihydroxy-13-methoxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone

Common Name: (1(10)E,4Z)-8b-(Angeloxyoxy)-9a-ethoxy-6a,15-dihydroxy-13-methoxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O8/c1-5-14(3)22(26)31-21-19-17(13-28-4)23(27)30-18(19)10-15(11-24)8-7-9-16(12-25)20(21)29-6-2/h5,9-10,12,17-21,24H,6-8,11,13H2,1-4H3/b14-5-,15-10-,16-9-/t17?,18-,19+,20-,21+/m1/s1

InChIKey: InChIKey=KHPVVDUJMAHUPK-MIWGWBKOSA-N

Formula: C23H32O8

Molecular Weight: 436.496269

Exact Mass: 436.209718

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xiang, Y., Fan, C.Q., Yue, J.M. Helv Chim Acta (2005) 88, 160-70

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 (CH) 155.2
2 (CH2) 27.4
3 (CH2) 32.4
4 (C) 138.5
5 (CH) 129.3
6 (CH) 73.5
7 (CH) 46.8
8 (CH) 70.4
9 (CH) 75.9
10 (C) 141
11 (CH) 43.9
12 (C) 175.2
13 (CH2) 64.3
14 (CH) 193.5
15 (CH2) 60.3
8a (C) 166.7
8b (C) 126.9
8c (CH) 139
8d (CH3) 15.9
8ba (CH3) 20.7
9a (CH2) 66.2
9b (CH3) 15.1
13a (CH3) 59.2