Common Name: 10R-hydroxy-3-oxoguaia-11(13)-eno-12,6R-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h8-10,12-13,18H,1,4-6H2,2-3H3/t8-,9-,10+,12-,13-,15+/m0/s1
InChIKey: InChIKey=ZYSPQNWXTOPYEA-SNHBFLQPSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, S., Zhao, M., Bai, L., Hasegawa, T., Wang, J., Wang, L., Xue, H., Deng, Q., Xing, F., Bai, Y., Sakai, J., Bai, J., Koyanagi, R., Tsukumo, Y., Kataoka, T., Nagai, K., Hirose, K., Ando, M. J Nat Prod (2006) 69, 1425-8
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 (CH) | 48.3 |
2 (CH2) | 39 |
3 (C) | 217.2 |
4 (CH) | 50 |
5 (CH) | 47.1 |
6 (CH) | 81.3 |
7 (CH) | 44 |
8 (CH2) | 24.4 |
9 (CH2) | 33 |
10 (C) | 74 |
11 (C) | 140 |
12 (C) | 169.9 |
13 (CH2) | 119.6 |
14 (CH3) | 32 |
15 (CH3) | 11.6 |