Ovalicin

CAT: 1596-AR-F02166-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-F02166-05Size:150

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CAS Number

19683-98-8

Synonyms

Ovalicin; Graphinone; (3S) -4?-Hydroxy-4-[ (2S) -2-methyl-3?- (3-methyl-2-butenyl) oxirane-2?-yl]-5?-methoxy-1-oxaspiro[2.5]octane-6-one;7-hydroxy-8-methoxy-7-[2-methyl-3- (3-methylbut-2-enyl) oxiran-2-yl]-4-oxaspiro[2.5]octan-2-one

Molecular Formula

C16H24O5

Molecular Weight

296.36

API Name

Fumagillin

Chemical Information

(3S,4R,5S)-4-Hydroxy-5-methoxy-4-((2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)octan-6-one

(3S,4R,5S)-4-hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one has been reported in Pseudeurotium ovale, Aspergillus fumigatus, and Sporothrix with data available.

CAS Number	19683-98-8
PubChem CID	10957430
IUPAC Name	(3S,4R,5S)-4-hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Molecular Formula	C16H24O5
Molecular Weight	296.36
XLogP	0.6
Topological Polar Surface Area	71.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	497

SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@]23CO3)OC)O)C

InChI

InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1

InChIKey

NESRXFGQJARQNM-OWYFMNJBSA-N

Chemical Structure

2D Structure

CAS: 19683-98-8

CID: 10957430

Formula: C16H24O5

MW: 296.36

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	296.36
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	296.16237386
Monoisotopic Mass	296.16237386
Topological Polar Surface Area	71.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	497
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-156959	Ovalicin

Ovalicin

Chemical Information

Alternative Products

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