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Sipeimine

CAT: 0127-BUP03334-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03334-03Size:10 mg
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CAS Number
61825-98-7
Synonyms
Kashmirine, Imperialine
Purity
=98%
Smiles
[H][C@@]12CC[C@]3([H])[C@@]([H])(CN4C[C@@H](C)CC[C@@]4([H])[C@@]3(C)O)[C@]1([H])C[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C[C@@H](O)CC[C@]12C

Chemical Information

Imperialine

Sipeimine is an alkaloid.

CAS Number61825-98-7
PubChem CID442977
IUPAC Name(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Molecular FormulaC27H43NO3
Molecular Weight429.6
XLogP3.9
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity755
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]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O
InChI
InChI=1S/C27H43NO3/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/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1
InChIKey
IQDIERHFZVCNRZ-LRCDAWNTSA-N
Chemical Structure
2D Structure
2D structure of Imperialine
CAS: 61825-98-7
CID: 442977
Formula: C27H43NO3
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass429.32429423
Monoisotopic Mass429.32429423
Topological Polar Surface Area60.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2485-20Sipeimine
A14689-100Sipeimine 100mg
A14689-25Sipeimine 25mg
A14689-10Sipeimine 10mg
A14689-1Sipeimine 1mg
HY-N0696RSipeimine (Standard)
300982Sipeimine (Imperialine)
A14689-50Sipeimine 50mg
A14689-5Sipeimine 5mg
MBS3611483-01Sipeimine-3beta-D-glucoside

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