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Chemical structure of Ecubectedin

GC70825

Ecubectedin

Also known as [(1R,2R,3R,3'S,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate

Ecubectedin (PM14) is a derivative

ChemicalCAS2248127-53-7MW784.87FormulaC41H44N4O10S
CAS number
2248127-53-7
Molecular weight
784.87
Formula
C41H44N4O10S
InChIKey
PVXBRBBFWHHDFS-DJQPDYNTSA-N
Catalogue number
GC70825
Brand
GLPBIO
Computed properties PubChem CID 146175071 · XLogP 3.3 · TPSA 201 Ų · H-bond donors 5
XLogP
3.3
TPSA
201 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
4
Heavy atoms
56

SMILES CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(C[C@H](N8)CO)C2=CC=CC=C2N9)OCO7)C)OC(=O)C)C(=C1OC)O

Computed descriptors from PubChem (CID 146175071), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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