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Chemical structure of Rutaevin

GC39100

Rutaevin

Also known as (1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione

Rutaevin is isolated from the fruits of Euodia rutaecarpa

ChemicalCAS33237-37-5MW486.51FormulaC26H30O9
CAS number
33237-37-5
Molecular weight
486.51
Formula
C26H30O9
Solubility
Soluble in DMSO
InChIKey
YZMKFMIZNSOPSN-XGTMLCIVSA-N
Catalogue number
GC39100
Brand
GLPBIO
Computed properties PubChem CID 441805 · XLogP 1.3 · TPSA 125 Ų · H-bond donors 1
XLogP
1.3
TPSA
125 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
1
Heavy atoms
35

SMILES C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)([C@H](C(=O)[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)O)C

Computed descriptors from PubChem (CID 441805), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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