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28-Demethyl-β-amyrone

CAT: 0931-TN1231Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1231Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73493-60-4
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
28-Demethyl-beta-amyrone is a natural product
Smiles
C[C@]12[C@@]3(C)C([C@]4([C@@](CC3)(CCC(C)(C)C4)[H])[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)C(=O)CC5)[H])[H]
Molecular Formula
C29H46O
Molecular Weight
410.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

28-Demethyl-beta-amyrone

28-Demethyl-beta-amyrone has been reported in Pistacia lentiscus with data available.

CAS Number73493-60-4
PubChem CID101616676
IUPAC Name(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-one
Molecular FormulaC29H46O
Molecular Weight410.7
XLogP8.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity786
SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@H]5[C@H]4CC(CC5)(C)C)C)C)(C)C
InChI
InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,19-20,22-23H,9-18H2,1-7H3/t19-,20-,22+,23-,27+,28-,29-/m1/s1
InChIKey
QQKXTWZLGUEVGX-DICJWPJSSA-N
Chemical Structure
2D Structure
2D structure of 28-Demethyl-beta-amyrone
CAS: 73493-60-4
CID: 101616676
Formula: C29H46O
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass410.354866087
Monoisotopic Mass410.354866087
Topological Polar Surface Area17.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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