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Chemical structure of Grosshemin

GC71876

Grosshemin

Also known as 4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione

Grosshemin (Grosshemine) is a natural compound found in the Siberian population of Centaurea scabiosa

ChemicalCAS22489-66-3MW262.3FormulaC15H18O4
CAS number
22489-66-3
Molecular weight
262.3
Formula
C15H18O4
InChIKey
YGMIBVIKXJJQQJ-UHFFFAOYSA-N
Catalogue number
GC71876
Brand
GLPBIO
Computed properties PubChem CID 99967 · XLogP 0.8 · TPSA 63.6 Ų · H-bond donors 1
XLogP
0.8
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19

SMILES CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O

Computed descriptors from PubChem (CID 99967), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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