(1(10)E,4Z)-8b-(Angeioyloxy)-9a-ethoxy-6a,15-dihydroxy-14-oxogermacra-1(10),4,11(13 )-trien-12-oic acid 12,6-lactone

(1(10)E,4Z)-8b-(Angeioyloxy)-9a-ethoxy-6a,15-dihydroxy-14-oxogermacra-1(10),4,11(13 )-trien-12-oic acid 12,6-lactone

Common Name: (1(10)E,4Z)-8b-(Angeioyloxy)-9a-ethoxy-6a,15-dihydroxy-14-oxogermacra-1(10),4,11(13 )-trien-12-oic acid 12,6-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O6/c1-6-14(4)21(24)28-20-18-15(5)22(25)27-17(18)11-13(3)9-8-10-16(12-23)19(20)26-7-2/h6,10-12,17-20H,5,7-9H2,1-4H3/b13-11+,14-6-,16-10-/t17-,18+,19-,20+/m1/s1

InChIKey: InChIKey=WKHLFLBJNFQCAE-FMCFCUBSSA-N

Formula: C22H28O6

Molecular Weight: 388.45496

Exact Mass: 388.188589

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) 155.8
2 (CH2) 27.7
3 (CH2) 32.8
4 (C) 141.7
5 (CH) 129.5
6 (CH) 74
7 (CH) 51.2
8 (CH) 69.3
9 (CH) 76.4
10 (C) 139.9
11 (C) 134.1
12 (C) 169.7
13 (CH2) 122.9
14 (CH) 194.6
15 (CH3) 61
8a (C) 166.6
8b (C) 127.6
8c (CH) 138.3
8d (CH3) 15.9
8ba (CH3) 20.7
9a (CH2) 64.6
9b (CH3) 15.2