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Guajadial F

CAT: 0931-TN5348Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5348Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1529775-08-3
Bioactivity
Guajadial F acts as a Top1 catalytic inhibitor and can delay Top1 poison-mediated DNA damage. Guajadial F shows cytotoxicity against five human cancer cell lines.
Smiles
CC(C)[C@@H](CC[C@H](C)[C@@H]1C[C@H]23)C1=C[C@]2(C)Oc1c(C=O)c(O)c(C=O)c(O)c1[C@@H]3c1ccccc1
Molecular Formula
C30H34O5
Molecular Weight
474.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Dihydroxy-5a,10-dimethyl-12-phenyl-7-propan-2-yl-7,8,9,10,10a,11,11a,12-octahydrobenzo[b]xanthene-2,4-dicarbaldehyde
CAS Number1529775-08-3
PubChem CID155886563
IUPAC Name1,3-dihydroxy-5a,10-dimethyl-12-phenyl-7-propan-2-yl-7,8,9,10,10a,11,11a,12-octahydrobenzo[b]xanthene-2,4-dicarbaldehyde
Molecular FormulaC30H34O5
Molecular Weight474.6
XLogP6.6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity831
SMILES
CC1CCC(C2=CC3(C(CC12)C(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)C5=CC=CC=C5)C)C(C)C
InChI
InChI=1S/C30H34O5/c1-16(2)19-11-10-17(3)20-12-24-25(18-8-6-5-7-9-18)26-28(34)22(14-31)27(33)23(15-32)29(26)35-30(24,4)13-21(19)20/h5-9,13-17,19-20,24-25,33-34H,10-12H2,1-4H3
InChIKey
DOFRMKNDUPWODG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dihydroxy-5a,10-dimethyl-12-phenyl-7-propan-2-yl-7,8,9,10,10a,11,11a,12-octahydrobenzo[b]xanthene-2,4-dicarbaldehyde
CAS: 1529775-08-3
CID: 155886563
Formula: C30H34O5
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass474.24062418
Monoisotopic Mass474.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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