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Rauvovertine C

CAT: 0804-HY-N8969Size: 1 EachDry Ice: NoHazardous: No
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Description
Rauvovertine C is a Alkaloids product that can be isolated from the stems of Rauvolfia verticillata.[1].
CAS Number
2055073-74-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/rauvovertine-c.html
Smiles
C[C@@H]1[N@@]2[C@]3([H])[C@@]4([H])[C@@]([C@]1([H])C=N[C@H]4OC)([H])C[C@@]2([H])C5=C(C6=CC=CC=C6N5)C3
Molecular Formula
C20H23N3O
Molecular Weight
321.42
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2S,13S,15S,16R,17S,20S,21S)-17-methoxy-21-methyl-1,11,18-triazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9,18-pentaene
CAS Number2055073-74-8
PubChem CID168013420
IUPAC Name(2S,13S,15S,16R,17S,20S,21S)-17-methoxy-21-methyl-1,11,18-triazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9,18-pentaene
Molecular FormulaC20H23N3O
Molecular Weight321.4
XLogP2
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity565
SMILES
C[C@H]1[C@H]2C=N[C@H]([C@@H]3[C@H]2C[C@@H]4N1[C@H]3CC5=C4NC6=CC=CC=C56)OC
InChI
InChI=1S/C20H23N3O/c1-10-14-9-21-20(24-2)18-12(14)7-17-19-13(8-16(18)23(10)17)11-5-3-4-6-15(11)22-19/h3-6,9-10,12,14,16-18,20,22H,7-8H2,1-2H3/t10-,12-,14+,16-,17-,18+,20-/m0/s1
InChIKey
ZZHBMDPVMXMCCC-UCBIGVTNSA-N
Chemical Structure
2D Structure
2D structure of (2S,13S,15S,16R,17S,20S,21S)-17-methoxy-21-methyl-1,11,18-triazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9,18-pentaene
CAS: 2055073-74-8
CID: 168013420
Formula: C20H23N3O
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass321.184112366
Monoisotopic Mass321.184112366
Topological Polar Surface Area40.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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