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Cotylenol

CAT: 0931-TN11407-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11407-02Size:50 mg
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CAS Number
41059-90-9
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Cotylenol is a fungal metabolite with oxygen functionality. It can be extracted from the culture filtrate of the fungal strain 501-7 w. Cotylenol exhibits optical activity and promotes leaf growth. At concentrations above 50 μg/mL, it can induce lysozyme activity. Cotylenol is a diterpene containing one methoxy and three hydroxy groups, and it serves as the aglycone part for synthesizing Cotylenin A.
Smiles
C[C@@]12C(=C(C(C)C)CC1)[C@@H](O)[C@H](O)[C@H](C)[C@]3(C(=C2)[C@](COC)(O)CC3)[H]
Molecular Formula
C21H34O4
Molecular Weight
350.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cotylenol

structure in first source

CAS Number41059-90-9
PubChem CID11068110
IUPAC Name(1R,2E,4R,7S,8R,9R,10R)-4-(methoxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9,10-triol
Molecular FormulaC21H34O4
Molecular Weight350.5
XLogP1.3
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity593
SMILES
C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O
InChI
InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1
InChIKey
AKKFAKCBIIOLLX-LQQINCHMSA-N
Chemical Structure
2D Structure
2D structure of Cotylenol
CAS: 41059-90-9
CID: 11068110
Formula: C21H34O4
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass350.24570956
Monoisotopic Mass350.24570956
Topological Polar Surface Area69.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN8969-01Cotylenin A

Alternative Products

CatalogName
HY-N15596Cotylenol

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