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Β-Amyrenonol

CAT: 1410-M39376-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39376-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Standard reference
CAS Number
38242-02-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
440.7
Molecular Formula
C30H48O2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

11-Oxo-beta-amyrin

11-oxo-beta-amyrin is the pentacyclic triterpenoid that is the 11-oxo derivative of beta-amyrin. It is a pentacyclic triterpenoid and a cyclic terpene ketone. It is functionally related to a beta-amyrin.

CAS Number38242-02-3
PubChem CID20055661
IUPAC Name(4aR,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
Molecular FormulaC30H48O2
Molecular Weight440.7
XLogP8.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count32
Formal Charge0
Complexity866
SMILES
C[C@@]12CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C
InChI
InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey
UKAIYBGRLWQHDQ-KWRVYEIKSA-N
Chemical Structure
2D Structure
2D structure of 11-Oxo-beta-amyrin
CAS: 38242-02-3
CID: 20055661
Formula: C30H48O2
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass440.365430770
Monoisotopic Mass440.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity866
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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