Fusapyrone

CAT: 0024-sc-391553Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-391553Size:1 mg

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CAS Number

156856-31-4

Chemical Information

Fusapyrone

Fusapyrone is a terpene lactone.

CAS Number	156856-31-4
PubChem CID	54710122
IUPAC Name	3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
Molecular Formula	C34H54O9
Molecular Weight	606.8
XLogP	5.4
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Heavy Atom Count	43
Formal Charge	0
Complexity	1070

SMILES

CCCCCCC(C)C/C(=C\C(CO)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=C(C(=O)O1)[C@@H]2[C@H]([C@@H](C[C@@H](O2)CO)O)O)O)O)/C

InChI

InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m1/s1

InChIKey

HEECQDWUNPZALD-PQKWJCQSSA-N

Chemical Structure

2D Structure

CAS: 156856-31-4

CID: 54710122

Formula: C34H54O9

MW: 606.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	606.8
XLogP3	5.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Exact Mass	606.37678330
Monoisotopic Mass	606.37678330
Topological Polar Surface Area	157 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-122785	Fusapyrone

Fusapyrone

Chemical Information

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