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Memnobotrin B

CAT: 0013-GTR19255359-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255359-02Size:10 mg
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Description
Memnobotrin B is an antibiotic that exhibits inhibitory effects on the NCI-460, MCF7, and SF-268 cell lines.
CAS Number
256235-09-3
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12[C@@]3 ([C@@] (C) (OC=4C (C3) =C (O) C=C5C4CN (CCO) C5=O) CC[C@]1 (C (C) (C) [C@@H] (OC (C) =O) CC2) [H]) [H]
Molecular Formula
C27H37NO6
Molecular Weight
471.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Memnobotrin B

Memnobotrin B is a member of hydroxyisoflavans.

CAS Number256235-09-3
PubChem CID10743030
IUPAC Name[(1S,13R,14S,17S,19R)-10-hydroxy-6-(2-hydroxyethyl)-1,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10-trien-17-yl] acetate
Molecular FormulaC27H37NO6
Molecular Weight471.6
XLogP3.5
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity845
SMILES
CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]3([C@@H]2CC4=C(C=C5C(=C4O3)CN(C5=O)CCO)O)C)C
InChI
InChI=1S/C27H37NO6/c1-15(30)33-22-7-8-26(4)20(25(22,2)3)6-9-27(5)21(26)13-17-19(31)12-16-18(23(17)34-27)14-28(10-11-29)24(16)32/h12,20-22,29,31H,6-11,13-14H2,1-5H3/t20-,21+,22-,26-,27-/m0/s1
InChIKey
LKNLQLIREMZEIR-BUENMJANSA-N
Chemical Structure
2D Structure
2D structure of Memnobotrin B
CAS: 256235-09-3
CID: 10743030
Formula: C27H37NO6
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass471.26208790
Monoisotopic Mass471.26208790
Topological Polar Surface Area96.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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