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Chemical structure of Periplocymarin

GC39059

Periplocymarin

Also known as 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Periplocymarin, a cardiac glycoside isolated from Periploca sepium and Periploca graeca, is a potential anti-cancer compound

ChemicalCAS32476-67-8MW534.68FormulaC30H46O8
CAS number
32476-67-8
Molecular weight
534.68
Formula
C30H46O8
Solubility
Soluble in DMSO
InChIKey
XRWQBDJPMXRDOQ-YUUDFPFBSA-N
Catalogue number
GC39059
Brand
GLPBIO
Computed properties PubChem CID 12305974 · XLogP 1.2 · TPSA 115 Ų · H-bond donors 3
XLogP
1.2
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
38

SMILES C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O

Computed descriptors from PubChem (CID 12305974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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