Spektraris NMR
(1R,4S,4aS,7aS)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
![(1R,4S,4aS,7aS)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one](/nmr/static/nmr/svg/8343.svg)
Common Name: (1R,4S,4aS,7aS)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H16O5/c1-15-11-9-6(4-12)2-3-7(9)8(5-13)10(14)16-11/h2,7-9,11-13H,3-5H2,1H3/t7-,8-,9-,11-/m1/s1
InChIKey: InChIKey=DIZSYMXWQCKVJY-TURQNECASA-N
Formula: C11H16O5
Molecular Weight: 228.242172
Exact Mass: 228.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J.Q., Liu, Z.L., Yang, L. Phytochemistry (2002) 59, 537-42
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 98.7 |
| 3 (C) | 172.4 |
| 4 (CH) | 40.9 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 128.7 |
| 8 (C) | 144.8 |
| 9 (CH) | 50.7 |
| 10 (CH2) | 61.4 |
| 11 (CH2) | 62.3 |
| 1a (CH3) | 51.6 |
