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Dodovislactone A

CAT: 0013-GTR19228253-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228253-01Size:1 mg
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Description
Dodovislactone A is a natural product used as a research tool in life sciences. It serves as a bioactive compound for in vitro studies, particularly in pharmacological research exploring its potential biological activities.
CAS Number
1616683-54-5
Smiles
C (CC (OC) =O) [C@]1 (C) [C@@]2 ([C@]3 (C (C (=O) OC3) =CCC2) CC[C@H]1C) [H]
Molecular Formula
C18H26O4
Molecular Weight
306.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137796399
CAS Number1616683-54-5
PubChem CID137796399
IUPAC Namemethyl 3-(7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)propanoate
Molecular FormulaC18H26O4
Molecular Weight306.4
XLogP3.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity523
SMILES
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=O)OC
InChI
InChI=1S/C18H26O4/c1-12-7-10-18-11-22-16(20)13(18)5-4-6-14(18)17(12,2)9-8-15(19)21-3/h5,12,14H,4,6-11H2,1-3H3
InChIKey
MFJPXUVIKWWZNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137796399
CAS: 1616683-54-5
CID: 137796399
Formula: C18H26O4
MW: 306.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.18310931
Monoisotopic Mass306.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791147Dodovislactone A
RPC68355-01Dodovislactone B

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