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Verazine

CAT: 0013-GTR19231255-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231255-02Size:5 mg
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Description
(-) -Verazine is a natural antifungal compound isolated from Veratrum maackii. It is used in research on fungal infections and neurological disorders, as studies show it induces dose-dependent DNA damage in the mouse cerebellum and cerebral cortex in vivo.
CAS Number
14320-81-1
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) C (=CC3) C[C@@H] (O) CC4) (CC1) [H]) [H]) (CC[C@@]2 ([C@H] (C) C=5CC[C@H] (C) CN5) [H]) [H]
Molecular Formula
C27H43NO
Molecular Weight
397.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Verazine

Verazine is an organic molecular entity.

CAS Number14320-81-1
PubChem CID161052
IUPAC Name(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H43NO
Molecular Weight397.6
XLogP5.9
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity709
SMILES
C[C@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI
InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
InChIKey
VRBNGKPRTHBEIQ-LURFOZDGSA-N
Chemical Structure
2D Structure
2D structure of Verazine
CAS: 14320-81-1
CID: 161052
Formula: C27H43NO
MW: 397.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass397.334464995
Monoisotopic Mass397.334464995
Topological Polar Surface Area32.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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