Diosbulbin B

CAT: 0127-BUP18042-04Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP18042-04Size:100 mg

Selected

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

Quick Request Actions

CAS Number

20086-06-0

Purity

=98%

Smiles

[H][C@@]12C[C@@]([H])(C(=O)O1)[C@@]1([H])[C@]3([H])C[C@@]4(O[C@H](C[C@@]4(C)[C@]1([H])C2)c1ccoc1)C(=O)O3

Chemical Information

Diosbulbin B

CID 9974762 has been reported in Dioscorea bulbifera with data available.

CAS Number	20086-06-0
PubChem CID	15559043
IUPAC Name	3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
Molecular Formula	C19H20O6
Molecular Weight	344.4
XLogP	1.9
Topological Polar Surface Area	75
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	662

SMILES

CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6

InChI

InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3

InChIKey

QEANLIISUSNNDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20086-06-0

CID: 15559043

Formula: C19H20O6

MW: 344.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	344.12598835
Monoisotopic Mass	344.12598835
Topological Polar Surface Area	75 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	662
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1025242-01	Polystyrene-B-Polybutadiene-B-Polystyrene
BUP12194-01	Aureusimine B
BUP07323-01	Bryonamide B
BUP03385-01	Eupalinolide B
BUP02925-01	Forsythoside B
BUP02681-01	Vincetoxicoside B
BUP22050	Sculponeatin B
BUP21956	Pteroside B
BUP21239-01	Cyaonoside B
BUP18775-01	Pyronine B