Eremofortin B

CAT: 0024-sc-396544Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-396544Size:1 mg

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CAS Number

60048-73-9

Chemical Information

Eremofortin B

Eremofortin B has been reported in Penicillium roqueforti and Colletotrichum gloeosporioides with data available.

CAS Number	60048-73-9
PubChem CID	101316756
IUPAC Name	(1aR,2R,3R,3aR,5S,7bS)-2-hydroxy-3,3a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6-one
Molecular Formula	C15H20O3
Molecular Weight	248.32
XLogP	1.7
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	464

SMILES

C[C@H]1[C@H]([C@@H]2[C@@H](O2)C3=CC(=O)[C@@H](C[C@]13C)C(=C)C)O

InChI

InChI=1S/C15H20O3/c1-7(2)9-6-15(4)8(3)12(17)14-13(18-14)10(15)5-11(9)16/h5,8-9,12-14,17H,1,6H2,2-4H3/t8-,9-,12+,13-,14+,15+/m0/s1

InChIKey

OXZGFGFICRZIFY-DURCKFPESA-N

Chemical Structure

2D Structure

CAS: 60048-73-9

CID: 101316756

Formula: C15H20O3

MW: 248.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.32
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	248.14124450
Monoisotopic Mass	248.14124450
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5815958	Eremofortin A
GTR19217587-01	Eremofortin B