Dihydropyrenophorin

CAT: 0931-TN8061-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN8061-01Size:10 mg

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CAS Number

1073287-13-4

Bioactivity

Dihydropyropenophorin (compound 6) is a macrocyclic lactone that can be isolated from Pinus strobus (Eastern White Pine) .

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dihydropyrenophorin

Dihydropyrenophorin is a macrolide.

CAS Number	1073287-13-4
PubChem CID	139583253
IUPAC Name	[(2R,5S,6Z,10R,14Z)-2,10-dimethyl-8,13,16-trioxo-1,9-dioxacyclohexadeca-6,14-dien-5-yl] acetate
Molecular Formula	C18H24O7
Molecular Weight	352.4
XLogP	1.9
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	562

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

CAS: 1073287-13-4

CID: 139583253

Formula: C18H24O7

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	352.15220310
Monoisotopic Mass	352.15220310
Topological Polar Surface Area	96 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	562
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N11952	Dihydropyrenophorin