10,11-Dehydrocurvularin

CAT: 0127-BIA4323-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BIA4323-01Size:1 mg

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CAS Number

21178-57-4

MDL Number

MFCD09752720

Smiles

C[C@H]1CCC\C=C\C(=O)c2c(O)cc(O)cc2CC(=O)O1

Storage Conditions

Store at -20°C

Notes

From Penicillium citrinum

Chemical Information

Dehydrocurvularin

dehydrocurvularin has been reported in Alternaria tomato, Neonectria ditissima, and other organisms with data available.

CAS Number	21178-57-4
PubChem CID	6438143
IUPAC Name	(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
Molecular Formula	C16H18O5
Molecular Weight	290.31
XLogP	3
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	417

SMILES

C[C@H]1CCC/C=C/C(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

InChI

InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1

InChIKey

AVIRMQMUBGNCKS-RWCYGVJQSA-N

Chemical Structure

2D Structure

CAS: 21178-57-4

CID: 6438143

Formula: C16H18O5

MW: 290.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.31
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	290.11542367
Monoisotopic Mass	290.11542367
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BIBR1129	8,9-Dehydrocurvularin
BUP16022	10,11-Dihydrocarbamazepine
BUP10628-01	Carbamazepine 10,11-epoxide
OR1033492-01	11-Cyano-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
PC107884	9,9,10,10,11,11,12,12,12-Nonafluorododecane-1-thiol
PC107883	9,9,10,10,11,11,12,12,12-Nonafluorododecan-1-ol
OR1100102	2,2,3,3,10,10,11,11-Octamethyl-4,9-dioxa-3,10-disiladodecane
OR1007126-01	11-Cyano-N- (4-nitrophenyl) -9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
OR1010722-01	3,3,10,10-Tetramethoxy-2,11-Dioxa-3,10-Disiladodecane
OR1068538-01	9,10-Dihydro-9,10-ethanoanthracene-11,12-dione

Catalog	Name
BD162702-01	10, 11-Dehydrocurvularin
GL1970-1mg	10,11-Dehydrocurvularin
MBS5765857	(R)-10,11-Dehydrocurvularin
GTR19206708	(R) -10,11-Dehydrocurvularin
T125357-01	Trans-Dehydrocurvularin
D040-5MG	1011-dehydrocurvularin
T84936-01	10,11-dihydro-10,11-dihydroxy Carbamazepine
272298-01	10,11-Dihydro-10,11-dihydroxy protriptyline
AR-O09001-01	Cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine