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Chemical structure of Conophylline

GC63379

Conophylline

Also known as dimethyl (2R,6R,11R,13S,14S,23S,24S,25S,36R,39R,40R)-14,25-diethyl-24,33-dihydroxy-31,32-dimethoxy-12,22-dioxa-1,9,18,29-tetrazadodecacyclo[23.13.1.16,9.02,23.03,21.05,19.06,17.011,13.028,36.030,35.036,39.014,40]tetraconta-3,5(19),16,20,27,30,32,34-octaene-16,27-dicarboxylate

Conophylline is a vinca alkaloid extracted from leaves of a tropical plant Ervatamia microphylla

ChemicalCAS142741-24-0MW794.89FormulaC44H50N4O10
CAS number
142741-24-0
Molecular weight
794.89
Formula
C44H50N4O10
InChIKey
QZRIMAMDGWAHPQ-ATPAGDLWSA-N
Catalogue number
GC63379
Brand
GLPBIO
Computed properties PubChem CID 15226696 · XLogP 3.7 · TPSA 164 Ų · H-bond donors 4
XLogP
3.7
TPSA
164 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
58

SMILES CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)[C@H]5[C@@H]([C@H]2O)OC6=CC7=C(C=C56)[C@]89CCN1[C@H]8[C@](CC(=C9N7)C(=O)OC)([C@H]2[C@@H](C1)O2)CC)C1=CC(=C(C(=C1N3)OC)OC)O)C(=O)OC

Computed descriptors from PubChem (CID 15226696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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