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Forskolin J

CAT: 0013-GTR19181531Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181531Size:5 mg
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Description
Forskolin J
CAS Number
81873-08-7
Smiles
[H][C@@]12[C@H] (OC (C) =O) [C@H] (OC (C) =O) [C@@]3 (C) O[C@] (C) (CC (=O) [C@]3 (O) [C@@]1 (C) [C@@H] (O) CCC2 (C) C) C=C
Molecular Formula
C24H36O8
Molecular Weight
452.544
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Forskolin J

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-5-yl acetate has been reported in Plectranthus ornatus with data available.

CAS Number81873-08-7
PubChem CID23254517
IUPAC Name[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate
Molecular FormulaC24H36O8
Molecular Weight452.5
XLogP1.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity851
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]1OC(=O)C)C)(C)C=C)O)C
InChI
InChI=1S/C24H36O8/c1-9-21(6)12-16(28)24(29)22(7)15(27)10-11-20(4,5)18(22)17(30-13(2)25)19(31-14(3)26)23(24,8)32-21/h9,15,17-19,27,29H,1,10-12H2,2-8H3/t15-,17-,18-,19-,21-,22-,23+,24-/m0/s1
InChIKey
ZSBZMJGJWOYRBW-JZLRHMRTSA-N
Chemical Structure
2D Structure
2D structure of Forskolin J
CAS: 81873-08-7
CID: 23254517
Formula: C24H36O8
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass452.24101810
Monoisotopic Mass452.24101810
Topological Polar Surface Area119 Ų
Heavy Atom Count32
Formal Charge0
Complexity851
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

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CatalogName
326769Forskolin