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Terpendole E

CAT: 0862-GL4961-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GL4961-1mgSize:1 mg
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CAS Number
167427-23-8
Molecular Formula
C28H39NO3
Molecular Weight
437.6
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Terpendole E

Terpendole E is an organic heterotricyclic compound and an organooxygen compound.

CAS Number167427-23-8
PubChem CID10094631
IUPAC Name(1S,2S,5S,7S,9R,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol
Molecular FormulaC28H39NO3
Molecular Weight437.6
XLogP5.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity770
SMILES
C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)([C@@H](C[C@H](O3)C(C)(C)O)O)C
InChI
InChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1
InChIKey
SVYIMXYKHRBHSG-KYYKPQATSA-N
Chemical Structure
2D Structure
2D structure of Terpendole E
CAS: 167427-23-8
CID: 10094631
Formula: C28H39NO3
MW: 437.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass437.29299411
Monoisotopic Mass437.29299411
Topological Polar Surface Area65.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T136-5MGTerpendole I
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