(1S,4R,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-

(1S,4R,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-

Common Name: (1S,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-RMAYHROUSA-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) 91.7
3 (C) 172.9
4 (CH) 46.5
5 (CH) 34.8
6 (CH2) 27.1
7 (CH2) 38.9
8 (C) 80.1
9 (CH) 46.8
10 (CH3) 25
11 (CH2) 61.4
1a (CH3) 51.9