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Dihydropyrenophorin

CAT: 0804-HY-N11952Size: 1 EachDry Ice: NoHazardous: No
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Description
Dihydropyrenophorin (compound 6) is a macrolide that can be isolated from Pinus strobus (eastern white pine) [1].
CAS Number
1073287-13-4
Product Name Alternative
(−) -Dihydropyrenophorin
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dihydropyrenophorin.html
Smiles
O=C(/C=C/C(CC[C@H]1C)=O)O[C@H](C)CC[C@H](O)/C=C\C(O1)=O
Molecular Formula
C16H22O6
Molecular Weight
310.34
References & Citations
[1]Mark W Sumarah, et al. Antifungal metabolites from fungal endophytes of Pinus strobus. Phytochemistry. 2011 Oct;72 (14-15) :1833-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dihydropyrenophorin

Dihydropyrenophorin is a macrolide.

CAS Number1073287-13-4
PubChem CID139583253
IUPAC Name[(2R,5S,6Z,10R,14Z)-2,10-dimethyl-8,13,16-trioxo-1,9-dioxacyclohexadeca-6,14-dien-5-yl] acetate
Molecular FormulaC18H24O7
Molecular Weight352.4
XLogP1.9
Topological Polar Surface Area96
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
C[C@@H]1CC[C@@H](/C=C\C(=O)O[C@@H](CCC(=O)/C=C\C(=O)O1)C)OC(=O)C
InChI
InChI=1S/C18H24O7/c1-12-4-6-15(20)7-10-17(21)24-13(2)5-8-16(25-14(3)19)9-11-18(22)23-12/h7,9-13,16H,4-6,8H2,1-3H3/b10-7-,11-9-/t12-,13-,16+/m1/s1
InChIKey
UXRNECNLNMQCRR-CZPNQJRXSA-N
Chemical Structure
2D Structure
2D structure of Dihydropyrenophorin
CAS: 1073287-13-4
CID: 139583253
Formula: C18H24O7
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass352.15220310
Monoisotopic Mass352.15220310
Topological Polar Surface Area96 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
YSB28713Dihydropyrenophorin

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