Decursitin D

CAT: 0926-VJA44661-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-VJA44661-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

245446-61-1

Smiles

CCOC (=O) C1=C (NN=C1) C2=CC=CS2

Molecular Formula

C19H20O6

Molecular Weight

344.40 g/mol

Controlled

Chemical Information

Decursitin D

Decursitin D has been reported in Halosciastrum melanotilingia with data available.

CAS Number	245446-61-1
PubChem CID	122169319
IUPAC Name	[(3R,4R)-3-hydroxy-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate
Molecular Formula	C19H20O6
Molecular Weight	344.4
XLogP	2.6
Topological Polar Surface Area	82.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	619

SMILES

C/C=C(/C)\C(=O)O[C@H]1[C@H](C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)O

InChI

InChI=1S/C19H20O6/c1-5-10(2)18(22)24-16-12-8-11-6-7-15(20)23-13(11)9-14(12)25-19(3,4)17(16)21/h5-9,16-17,21H,1-4H3/b10-5-/t16-,17-/m1/s1

InChIKey

AESJNSAMTDSWJU-RQJZHBNNSA-N

Chemical Structure

2D Structure

CAS: 245446-61-1

CID: 122169319

Formula: C19H20O6

MW: 344.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.4
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	344.12598835
Monoisotopic Mass	344.12598835
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH
NLA84687-01	D-Arabinose-2-D
UGA78376-01	D-Ribose-3-D
CDA58392-01	D-Arabinose-1-D

Catalog	Name
TN6537	Decursitin D