(E,E)-3a,9b-Dihydroxy-6bH,11bH-13-norgermacra-1(10),4-dien-11,6-carbolactone

(E,E)-3a,9b-Dihydroxy-6bH,11bH-13-norgermacra-1(10),4-dien-11,6-carbolactone

Common Name: (E,E)-3a,9b-Dihydroxy-6bH,11bH-13-norgermacra-1(10),4-dien-11,6-carbolactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O4/c1-8-4-5-12(16)9(2)6-14-11(7-13(8)17)10(3)15(18)19-14/h4,6,10-14,16-17H,5,7H2,1-3H3/b8-4+,9-6+/t10-,11-,12-,13-,14+/m0/s1

InChIKey: InChIKey=BDIVIJRCFBPADM-GGRKJUGDSA-N

Formula: C15H22O4

Molecular Weight: 266.333355

Exact Mass: 266.151809

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Zhang, H., Liao, Z.X., Yue, J.M. Helv Chim Acta (2004) 87, 976-82

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 13 13 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) 126.6
2 (CH2) 38.3
3 (CH) 78.9
4 (C) 141.4
5 (CH) 125.2
6 (CH) 81.5
7 (CH) 52.3
8 (CH2) 35.9
9 (CH) 80.2
10 (C) 143.1
11 (CH) 42.8
12 (C) 178.8
13 (CH3) 13.9
14 (CH3) 12.4
15 (CH3) 11.4