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24-Methylene cycloartanol

CAT: 1410-M39659-01Size: 1 EachDry Ice: NoHazardous: No
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Description
24-Methylenecycloartan-3-ol and methyl caffeate show weak activity against Staphylococcus aureus and Escherichia coli.
CAS Number
1449-09-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
440.756
Molecular Formula
C31H52O
Notes
Research use only, not for human use.
Receptor
Antifection

Chemical Information

24-Methylenecycloartanol

24-methylenecycloartanol is a pentacyclic triterpenoid that is (9beta)-24-methylene-9,19-cyclolanostane which carries a hydroxy group at position 3beta. It is isolated from several plant species including Euphorbia, Epidendrum, Psychotria and Sideritis. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a 3beta-hydroxy steroid. It derives from a hydride of a cycloartane.

CAS Number1449-09-8
PubChem CID94204
IUPAC Name(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Molecular FormulaC31H52O
Molecular Weight440.7
XLogP10.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity779
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
InChIKey
BDHQMRXFDYJGII-UEBIAWITSA-N
Chemical Structure
2D Structure
2D structure of 24-Methylenecycloartanol
CAS: 1449-09-8
CID: 94204
Formula: C31H52O
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP310.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass440.401816278
Monoisotopic Mass440.401816278
Topological Polar Surface Area20.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19259799-0124-Methylene cycloartanol
EAA65758-01Cycloartanol
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