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Spiramine A

CAT: 1459-CS-BT-00613Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00613Size:1 Each
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Description
Spiramine A is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-BT-00613. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
114531-28-1
Synonyms
Spiramine A
Molecular Formula
C 24 H 33 NO 4
Molecular Weight
399.52
Additionnal Information
Spiramine A is supplied with detailed characterization data compliant with regulatory guideline. Spiramine A can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Spiramine A

Spiramine A is a diterpenoid. It derives from a hydride of an atisane.

CAS Number114531-28-1
PubChem CID441757
IUPAC Name[(1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
Molecular FormulaC24H33NO4
Molecular Weight399.5
XLogP3.5
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity813
SMILES
CC(=O)O[C@H]1C(=C)[C@H]2CC[C@]13[C@@H](C2)[C@]45CCC[C@@]6([C@H]4C[C@H]3O[C@H]5N7[C@@H]6OCC7)C
InChI
InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+/m0/s1
InChIKey
ZPELMDXCJZDIBP-OWOZRORESA-N
Chemical Structure
2D Structure
2D structure of Spiramine A
CAS: 114531-28-1
CID: 441757
Formula: C24H33NO4
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass399.24095853
Monoisotopic Mass399.24095853
Topological Polar Surface Area48 Ų
Heavy Atom Count29
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TBZ0885Spiramine O
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TBZ0884Spiramine N
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TBZ0883Spiramine M
TBZ0881Spiramine K

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