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Nargenicin A1

CAT: 0862-GW9057-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GW9057-1mgSize:1 mg
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CAS Number
70695-02-2
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Nargenicin A
CAS Number70695-02-2
PubChem CID5458814
IUPAC Name[(18Z)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
Molecular FormulaC28H37NO8
Molecular Weight515.6
XLogP2.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity966
SMILES
CC1/C=C(\C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)/C
InChI
InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11-
InChIKey
YEUSSARNQQYBKH-KAMYIIQDSA-N
Chemical Structure
2D Structure
2D structure of Nargenicin A
CAS: 70695-02-2
CID: 5458814
Formula: C28H37NO8
MW: 515.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.6
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass515.25191714
Monoisotopic Mass515.25191714
Topological Polar Surface Area127 Ų
Heavy Atom Count37
Formal Charge0
Complexity966
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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N034-1MGNargenicin
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