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Sclareol

CAT: 0804-HY-N0128-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0128-01Size:10 mg
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Description
Sclareol is isolated from Salvia sclarea with anticarcinogenic activity. Sclareol shows strong cytotoxic activity against mouse leukemia (P-388), human epidermal carcinoma (KB) cells and human leukemia cell lines. Sclareol induces cell apoptosis[1].
CAS Number
515-03-7
UNSPSC
12352211
Hazard Statement
H319
Target
Apoptosis
Type
Natural Products
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sclareol.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1(C)CCC[C@@]2(C)[C@@]1([H])CC[C@](O)(C)[C@@H]2CC[C@@](C)(O)C=C
Molecular Formula
C20H36O2
Molecular Weight
308.50
Precautions
H319
References & Citations
[1]Robert Tisserand, et al. Sclareol.Constituent profiles
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sclareol

Sclareol is a labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. It has a role as an antimicrobial agent, an antifungal agent, a fragrance, an apoptosis inducer and a plant metabolite.

CAS Number515-03-7
PubChem CID163263
IUPAC Name(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Molecular FormulaC20H36O2
Molecular Weight308.5
XLogP4.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity429
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C
InChI
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey
XVULBTBTFGYVRC-HHUCQEJWSA-N
Chemical Structure
2D Structure
2D structure of Sclareol
CAS: 515-03-7
CID: 163263
Formula: C20H36O2
MW: 308.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass308.271530387
Monoisotopic Mass308.271530387
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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