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29-Nor-20-oxolupeol

CAT: 0013-GTR19182560Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182560Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This compound, 29-Nor-20-oxolupeol, exhibits growth-inhibitory activity against human promyelocytic leukemia HL-60 cells in vitro. It is a lupane-type triterpenoid used in cancer research to study mechanisms of cytotoxicity and potential antitumor agents.
CAS Number
19891-85-1
Smiles
CC (=O) [C@@H]1CC[C@]2 (C) CC[C@]3 (C) [C@H] (CC[C@@H]4[C@@]5 (C) CC[C@H] (O) C (C) (C) [C@@H]5CC[C@@]34C) [C@@H]12
Molecular Formula
C29H48O2
Molecular Weight
428.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

29-Nor-20-oxolupeol

29-Nor-20-oxolupeol has been reported in Salacia chinensis, Euonymus carnosus, and other organisms with data available.

CAS Number19891-85-1
PubChem CID490365
IUPAC Name1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone
Molecular FormulaC29H48O2
Molecular Weight428.7
XLogP7.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity771
SMILES
CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C
InChI
InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1
InChIKey
RCXANGLYPFOYKX-XJJQXQETSA-N
Chemical Structure
2D Structure
2D structure of 29-Nor-20-oxolupeol
CAS: 19891-85-1
CID: 490365
Formula: C29H48O2
MW: 428.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.7
XLogP37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass428.365430770
Monoisotopic Mass428.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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