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Isoforskolin

CAT: 0127-BUP00563-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00563-03Size:10 mg
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CAS Number
64657-21-2
Synonyms
Coleonol B
Purity
=98%
Smiles
[H][C@@]12[C@H](OC(C)=O)[C@H](O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C

Chemical Information

Isoforskolin

isoforskolin has been reported in Excoecaria cochinchinensis with data available.

CAS Number64657-21-2
PubChem CID9549169
IUPAC Name[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate
Molecular FormulaC22H34O7
Molecular Weight410.5
XLogP1
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity747
SMILES
CC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3(C(=O)C[C@](O[C@@]3([C@H]1O)C)(C)C=C)O)C
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey
CLOQVZCSBYBUPB-KGGHGJDLSA-N
Chemical Structure
2D Structure
2D structure of Isoforskolin
CAS: 64657-21-2
CID: 9549169
Formula: C22H34O7
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass410.23045342
Monoisotopic Mass410.23045342
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2052-5Isoforskolin
HY-N6927RIsoforskolin (Standard)
A14683-5Isoforskolin 5mg
A14683-25Isoforskolin 25mg
A14683-50Isoforskolin 50mg
A14683-10Isoforskolin 10mg
A14683-1Isoforskolin 1mg
A14683-100Isoforskolin 100mg

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