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14-Dehydrobrowniine

CAT: 0804-HY-N13436Size: 1 EachDry Ice: NoHazardous: No
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Description
14-Dehydrobrowniine is a natural product[1].
CAS Number
4829-56-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/14-dehydrobrowniine.html
Smiles
CO[C@@H]1[C@@]23[C@@]4([H])[C@](CN([C@]2([H])[C@]([C@H]4OC)([C@@]5([C@]6([H])[C@@]3([H])C[C@@]([C@H](C5)OC)([H])C6=O)O)O)CC)(CC1)COC
Molecular Formula
C25H39NO7
Molecular Weight
465.58
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dehydrobrowniine

Dehydrobrowniine has been reported in Delphinium barbeyi, Delphinium glaucescens, and other organisms with data available.

CAS Number4829-56-5
PubChem CID165269
IUPAC Name11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
Molecular FormulaC25H39NO7
Molecular Weight465.6
XLogP-0.7
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity855
SMILES
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC
InChI
InChI=1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3
InChIKey
MWOQLGAENOKSHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dehydrobrowniine
CAS: 4829-56-5
CID: 165269
Formula: C25H39NO7
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass465.27265258
Monoisotopic Mass465.27265258
Topological Polar Surface Area97.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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