Diosbulbin C

CAT: 0926-VAA08607-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-VAA08607-01Size:5 mg

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CAS Number

20086-07-1

MDL Number

MFCD20260750

Molecular Formula

C19H22O7

Molecular Weight

362.4 g/mol

Controlled

Chemical Information

Diosbulbin C

Diosbulbin C is a naphthofuran.

CAS Number	20086-07-1
PubChem CID	15559045
IUPAC Name	3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
Molecular Formula	C19H22O7
Molecular Weight	362.4
XLogP	1.1
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	650

SMILES

CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5

InChI

InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)

InChIKey

UYALWPKCIMKALF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20086-07-1

CID: 15559045

Formula: C19H22O7

MW: 362.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.4
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	362.13655304
Monoisotopic Mass	362.13655304
Topological Polar Surface Area	106 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	650
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
MXB95106-01	Diosbulbin J
LZB28587-01	Diosbulbin L
FD73894-01	Diosbulbin B
SCA56715-01	Diosbulbin G
SCA56714-01	Diosbulbin E
RCA75657-01	Diosbulbin D
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZHA33135-01	Dehydroglyasperin C