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11beta-Hydroxylupeol

CAT: 0013-GTR19182811Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182811Size:5 mg
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Description
11beta-Hydroxylupeol (CAS 49776-92-3) is a lupane-type triterpenoid used in life science research. It serves as a key compound for investigating anti-inflammatory and cytotoxic activities in various in vitro assays and preclinical models.
CAS Number
49776-92-3
Smiles
[H][C@]12[C@@H] (CC[C@]1 (C) CC[C@]1 (C) [C@]2 ([H]) C[C@H] (O) [C@]2 ([H]) [C@@]3 (C) CC[C@H] (O) C (C) (C) [C@]3 ([H]) CC[C@@]12C) C (C) =C
Molecular Formula
C30H50O2
Molecular Weight
442.728
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11beta-Hydroxylupeol

11beta-Hydroxylupeol has been reported in Dodonaea viscosa with data available.

CAS Number49776-92-3
PubChem CID102428390
IUPAC Name(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,12S,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP8.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity801
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3C[C@@H]([C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)O)C
InChI
InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey
CTSXUIWIOTUWDC-SWCLGKIHSA-N
Chemical Structure
2D Structure
2D structure of 11beta-Hydroxylupeol
CAS: 49776-92-3
CID: 102428390
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP38.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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