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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H34O8/c1-5-15(4)23(27)32-22-20-18(14-29-6-2)24(28)31-19(20)11-16(12-25)9-8-10-17(13-26)21(22)30-7-3/h5,10-11,13,18-22,25H,6-9,12,14H2,1-4H3/b15-5-,16-11-,17-10-/t18?,19-,20+,21-,22+/m1/s1

InChIKey: InChIKey=HNVRKAGRXQGKIS-OIBHBSGMSA-N

Formula: C24H34O8

Molecular Weight: 450.522887

Exact Mass: 450.225368

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) 154.8
2 (CH2) 27.4
3 (CH2) 32.5
4 (C) 138.6
5 (CH) 129.9
6 (CH) 73.6
7 (CH) 47
8 (CH) 70.6
9 (CH) 76.2
10 (C) 141.5
11 (CH) 44
12 (C) 175.7
13 (CH2) 64
14 (CH) 193.4
15 (CH2) 60.6
8a (C) 167.1
8b (C) 127.3
8c (CH) 139.2
8d (CH3) 15.8
8ba (CH3) 20.7
9a (CH2) 64.4
9b (CH3) 15.1
13a (CH2) 66.9
13b (CH3) 14.9