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Isoverticine

CAT: 1410-M29173-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Isoverticine exhibits significant antitussive, expectorant and anti-inflammatory activities, it also displays significant cytotoxicity.
CAS Number
23496-43-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
431.661
Molecular Formula
C27H45NO3
Notes
Research use only, not for human use.
Receptor
BCL

Chemical Information

Isoverticine

isoverticine has been reported in Fritillaria ebeiensis, Fritillaria thunbergii, and Fritillaria anhuiensis with data available.

CAS Number23496-43-7
PubChem CID21573744
IUPAC Name(1R,2S,6S,9S,10S,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
Molecular FormulaC27H45NO3
Molecular Weight431.7
XLogP4.1
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity715
SMILES
C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
InChI
InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey
IUKLSMSEHKDIIP-RZNVUHDWSA-N
Chemical Structure
2D Structure
2D structure of Isoverticine
CAS: 23496-43-7
CID: 21573744
Formula: C27H45NO3
MW: 431.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.7
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass431.33994430
Monoisotopic Mass431.33994430
Topological Polar Surface Area63.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB1486Isoverticine

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