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Spiculisporic Acid

CAT: 1568-C10735-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C10735-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
469-77-2
Synonyms
4,5-dicarboxy-4-pentadecanolide
Target
Others
Applications
Others
Smiles
CCCCCCCCCCC (C (=O) O) C1 (CCC (=O) O1) C (=O) O
Molecular Formula
C17H28O6
Additionnal Information
Spiculisporic acid (4,5-dicarboxy-4-pentadecanolide) is a bioactive γ-butenolide isolated from a marine Aspergillus.
Storage Conditions
2 years -80 in solvent

Chemical Information

Supiculisporic Acid

(-)-Spiculisporic acid is a carbonyl compound.

CAS Number469-77-2
PubChem CID73448
IUPAC Name(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid
Molecular FormulaC17H28O6
Molecular Weight328.4
XLogP4.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity419
SMILES
CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O
InChI
InChI=1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)/t13-,17+/m1/s1
InChIKey
TUXHHVJPGQUPCF-DYVFJYSZSA-N
Chemical Structure
2D Structure
2D structure of Supiculisporic Acid
CAS: 469-77-2
CID: 73448
Formula: C17H28O6
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass328.18858861
Monoisotopic Mass328.18858861
Topological Polar Surface Area101 Ų
Heavy Atom Count23
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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FS02583-01Spiculisporic acid
HY-N7078RSpiculisporic acid (Standard)
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