Common Name: Hysterolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3/t8-,11+,12-,13+,14+/m0/s1
InChIKey: InChIKey=SAEZZWNICTYMTI-NIXGCWMWSA-N
Formula: C14H16O4
Molecular Weight: 248.274974
Exact Mass: 248.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sha, B.A., Chib, R., Gupta, P., Sethi, V.K., Koul, S., Andotra, S.S., Nargotra, A., Sharma, S., Pandey, A., Bani, S., Purnima, B., Taneja, S.C. Org Biomol Chem (2009) 7, 3230-5
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)
Position | PPM |
---|---|
1 (C) | 95.9 |
2 (CH) | 157 |
3 (CH) | 134 |
4 (C) | 205.1 |
5 (C) | 62.6 |
6 (CH) | 91.3 |
7 (C) | 90.4 |
8 (CH2) | 29.6 |
9 (CH2) | 26.2 |
10 (CH) | 34.8 |
11 (CH2) | 38.5 |
12 (C) | 172.9 |
14 (CH3) | 18.9 |
15 (CH3) | 15.2 |