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Chemical structure of Arvenin II

GC72069

Arvenin II

Also known as [(6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate

Arvenin II is a bioactive compound, used to be isolated from Anagallis arvesnsis

ChemicalCAS65247-28-1MW722.86FormulaC38H58O13
CAS number
65247-28-1
Molecular weight
722.86
Formula
C38H58O13
InChIKey
KSENPDOZJGRJHR-GPWVBDSWSA-N
Catalogue number
GC72069
Brand
GLPBIO
Computed properties PubChem CID 101306925 · XLogP 1.1 · TPSA 217 Ų · H-bond donors 6
XLogP
1.1
TPSA
217 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
51

SMILES CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O

Computed descriptors from PubChem (CID 101306925), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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