Cryptomoscatone d2

CAT: 0926-BLA85655-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BLA85655-02Size:5 mg

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CAS Number

276856-55-4

Smiles

C1C=CC (=O) OC1CC (CC (C=CC2=CC=CC=C2) O) O

Molecular Formula

C17H20O4

Molecular Weight

288.34 g/mol

Controlled

Chemical Information

Cryptomoscatone D2

Cryptomoscatone D2 has been reported in Cryptocarya moschata and Cryptocarya mandioccana with data available.

CAS Number	276856-55-4
PubChem CID	60143302
IUPAC Name	(2R)-2-[(E,2R,4R)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
Molecular Formula	C17H20O4
Molecular Weight	288.34
XLogP	2.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	382

SMILES

C1C=CC(=O)O[C@H]1C[C@@H](C[C@H](/C=C/C2=CC=CC=C2)O)O

InChI

InChI=1S/C17H20O4/c18-14(10-9-13-5-2-1-3-6-13)11-15(19)12-16-7-4-8-17(20)21-16/h1-6,8-10,14-16,18-19H,7,11-12H2/b10-9+/t14-,15+,16+/m0/s1

InChIKey

GOQOIZFMLWZVMB-GLBZDCTLSA-N

Chemical Structure

2D Structure

CAS: 276856-55-4

CID: 60143302

Formula: C17H20O4

MW: 288.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.34
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	288.13615911
Monoisotopic Mass	288.13615911
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-138073	Cryptomoscatone D2