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Strychnilactone

CAT: 0931-T83554-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T83554-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
491572-18-0
Target
Others
Related Pathways
Others
Bioactivity
Strychnilactone is a natural sesquiterpene lactone suitable for biochemical experiments and drug synthesis research.
Smiles
C[C@]12[C@@]([C@@H](O)C=3[C@@](C1)(OC(=O)C3C)[H])(C(=C)[C@@]4([C@]2(C4)[H])[H])[H]
Molecular Formula
C15H18O3
Molecular Weight
246.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4R,4aS,5aS,6aR,6bS,7aR)-4-Hydroxy-3,6b-dimethyl-5-methylene-4,4a,5,5a,6,6a,7,7a-octahydrocyclopropa[2,3]indeno[5,6-b]furan-2(6bH)-one
CAS Number491572-18-0
PubChem CID54763992
IUPAC Name(1S,2R,7R,9S,10R,12S)-2-hydroxy-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
Molecular FormulaC15H18O3
Molecular Weight246.30
XLogP1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity518
SMILES
CC1=C2[C@@H](C[C@]3([C@@H]4C[C@@H]4C(=C)[C@@H]3[C@H]2O)C)OC1=O
InChI
InChI=1S/C15H18O3/c1-6-8-4-9(8)15(3)5-10-11(13(16)12(6)15)7(2)14(17)18-10/h8-10,12-13,16H,1,4-5H2,2-3H3/t8-,9-,10-,12-,13+,15+/m1/s1
InChIKey
URLFHFQLZGCPQX-ZLDQFNNOSA-N
Chemical Structure
2D Structure
2D structure of (4R,4aS,5aS,6aR,6bS,7aR)-4-Hydroxy-3,6b-dimethyl-5-methylene-4,4a,5,5a,6,6a,7,7a-octahydrocyclopropa[2,3]indeno[5,6-b]furan-2(6bH)-one
CAS: 491572-18-0
CID: 54763992
Formula: C15H18O3
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass246.125594432
Monoisotopic Mass246.125594432
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP23907-01Strychnilactone

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