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Clerosterol

CAT: 0931-TN3681-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3681-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2364-23-0
Target
Others, Bcl-2 Family, Caspase, Apoptosis
Related Pathways
Apoptosis, Proteases/Proteasome, Others
Bioactivity
Clerosterol ((-) -Clerosterol) is a small molecule compound derived from Roasted bupleuri in vinegar that inhibits Pgp overexpression. Clerosterol shows cytotoxicity to human melanoma cells and can be used to study the loss of mitochondrial membrane potential.
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CC[C@@H](C(C)=C)CC)C)[H])[H]
Molecular Formula
C29H48O
Molecular Weight
412.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(-)-Clerosterol

Clerosterol is a steroid. It derives from a hydride of a stigmastane.

CAS Number2364-23-0
PubChem CID5283638
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H48O
Molecular Weight412.7
XLogP9.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity676
SMILES
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
GHGKPLPBPGYSOO-FBZNIEFRSA-N
Chemical Structure
2D Structure
2D structure of (-)-Clerosterol
CAS: 2364-23-0
CID: 5283638
Formula: C29H48O
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass412.370516150
Monoisotopic Mass412.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity676
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

Alternative Products

CatalogName
HY-129159(-) -Clerosterol
RM-C832000-01Clerosterol
GTR19181823Clerosterol glucoside
HY-129159R(-) -Clerosterol (Standard)
TRC-C441410-100MGClerosterol (Mixture of Diasteromers)
AR-C07887-01Clerosterol Impurity 1

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