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Chemical structure of Cinerubin B

GC91643

Cinerubin B

Also known as methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Cinerubin B is an anthracycline antitumor antibiotic that has been found in Streptomyces

ChemicalCAS35906-51-5MW825.9FormulaC42H51NO16
CAS number
35906-51-5
Molecular weight
825.9
Formula
C42H51NO16
Solubility
Dichloromethane： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
ZBDDFHXUDIPRSM-DQCCILMQSA-N
Catalogue number
GC91643
Brand
GLPBIO
Computed properties PubChem CID 73593 · XLogP 4 · TPSA 226 Ų · H-bond donors 4
XLogP
4
TPSA
226 Ų
H-bond donors
4
H-bond acceptors
17
Rotatable bonds
8
Heavy atoms
59

SMILES CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O

Computed descriptors from PubChem (CID 73593), 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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Documents
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