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Rauvanine

CAT: 0931-T34266-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34266-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3148-42-3
Target
Others
Related Pathways
Others
Bioactivity
Rauvanine a alkaloid of Rauwolfia vomitora.
Smiles
[H][C@@]12C[C@]3([H])C(=CO[C@H](C)[C@@]3([H])CN1CCc1c2[nH]c2cc(OC)c(OC)cc12)C(=O)OC
Molecular Formula
C23H28N2O5
Molecular Weight
412.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rauvanine
CAS Number3148-42-3
PubChem CID201052
IUPAC Namemethyl (1S,15R,16R,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular FormulaC23H28N2O5
Molecular Weight412.5
XLogP2.7
Topological Polar Surface Area73
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity699
SMILES
C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC
InChI
InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14+,16-,19+/m1/s1
InChIKey
FGWJRZQNNZVCHR-FERZIJSQSA-N
Chemical Structure
2D Structure
2D structure of Rauvanine
CAS: 3148-42-3
CID: 201052
Formula: C23H28N2O5
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass412.19982200
Monoisotopic Mass412.19982200
Topological Polar Surface Area73 Ų
Heavy Atom Count30
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19192949-01Rauvanine

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