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Norverrucosidin

CAT: 0013-GTR19227653-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227653-01Size:1 mg
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Description
Norverrucosidin (CAS 113689-48-8) is a natural product standard used in biochemical research. It serves as a reference compound in studies investigating mycotoxin activity and its biological effects in various in vitro experimental models.
CAS Number
113689-48-8
Smiles
COc1cc (=O) oc (c1C) [C@@]1 (C) O[C@H]1\C (C) =C/C (/C) =C/[C@@]1 (C) O[C@@H] (C) [C@]2 (C) OC12
Molecular Formula
C23H30O6
Molecular Weight
402.487
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Norverrucosidin
CAS Number113689-48-8
PubChem CID23786316
IUPAC Name4-methoxy-5-methyl-6-[(2S,3S)-2-methyl-3-[(2Z,4E)-4-methyl-5-[(2R,4S,5S)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]penta-2,4-dien-2-yl]oxiran-2-yl]pyran-2-one
Molecular FormulaC23H30O6
Molecular Weight402.5
XLogP2.5
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity895
SMILES
C[C@H]1[C@]2(C(O2)[C@@](O1)(C)/C=C(\C)/C=C(/C)\[C@H]3[C@@](O3)(C)C4=C(C(=CC(=O)O4)OC)C)C
InChI
InChI=1S/C23H30O6/c1-12(11-21(5)20-22(6,29-20)15(4)27-21)9-13(2)18-23(7,28-18)19-14(3)16(25-8)10-17(24)26-19/h9-11,15,18,20H,1-8H3/b12-11+,13-9-/t15-,18-,20?,21+,22-,23-/m0/s1
InChIKey
OECUDTNQFAWZDD-JRYAVYMSSA-N
Chemical Structure
2D Structure
2D structure of Norverrucosidin
CAS: 113689-48-8
CID: 23786316
Formula: C23H30O6
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass402.20423867
Monoisotopic Mass402.20423867
Topological Polar Surface Area69.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791803Norverrucosidin

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