Spektraris NMR
(1R,4R,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-
![(1R,4R,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-](/nmr/static/nmr/svg/8340.svg)
Common Name: (1R,4R,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H18O5/c1-11(14)4-3-6-7(5-12)9(13)16-10(15-2)8(6)11/h6-8,10,12,14H,3-5H2,1-2H3/t6-,7+,8-,10-,11+/m1/s1
InChIKey: InChIKey=YIUSJQVCFWRQBQ-BEBVASNESA-N
Formula: C11H18O5
Molecular Weight: 230.258053
Exact Mass: 230.115424
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) | 94.6 |
| 3 (C) | 173.6 |
| 4 (CH) | 47.7 |
| 5 (CH) | 38.3 |
| 6 (CH2) | 27.3 |
| 7 (CH2) | 40.2 |
| 8 (C) | 79.7 |
| 9 (CH) | 49.9 |
| 10 (CH3) | 25.5 |
| 11 (CH2) | 61 |
| 1a (CH3) | 51 |
