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Swietemahalactone

CAT: 0931-TN5082Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5082Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1514669-21-6
Target
Antibacterial, Antifection
Related Pathways
Microbiology/Virology
Bioactivity
Swietemahalactone exhibits antibacterial activity.
Smiles
COC(=O)[C@@H](O)C1[C@@]2(C)CC3(O)[C@@H]4[C@@]2(O)C(=O)O[C@]42[C@H](CC[C@@]4(C)[C@@H](OC(=O)C=C24)c2ccoc2)[C@]13C
Molecular Formula
C27H30O10
Molecular Weight
514.527
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Swietemahalactone
CAS Number1514669-21-6
PubChem CID125114859
IUPAC Namemethyl (2S)-2-[(1R,4S,5R,6S,8R,9S,10S,11R,14R,15R)-15-(furan-3-yl)-4,6-dihydroxy-8,10,14-trimethyl-3,17-dioxo-2,16-dioxahexacyclo[9.8.0.01,5.04,8.06,10.014,19]nonadec-18-en-9-yl]-2-hydroxyacetate
Molecular FormulaC27H30O10
Molecular Weight514.5
XLogP0.4
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity1180
SMILES
C[C@@]12CC[C@@H]3[C@@]4([C@H]([C@]5(C[C@@]4([C@H]6[C@]3(C1=CC(=O)O[C@H]2C7=COC=C7)OC(=O)[C@]65O)O)C)[C@@H](C(=O)OC)O)C
InChI
InChI=1S/C27H30O10/c1-22-7-5-13-24(3)17(16(29)19(30)34-4)23(2)11-25(24,32)20-26(13,37-21(31)27(20,23)33)14(22)9-15(28)36-18(22)12-6-8-35-10-12/h6,8-10,13,16-18,20,29,32-33H,5,7,11H2,1-4H3/t13-,16+,17+,18+,20+,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey
HHKXOKUGOZKYPR-JTNCFZDESA-N
Chemical Structure
2D Structure
2D structure of Swietemahalactone
CAS: 1514669-21-6
CID: 125114859
Formula: C27H30O10
MW: 514.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.5
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass514.18389715
Monoisotopic Mass514.18389715
Topological Polar Surface Area153 Ų
Heavy Atom Count37
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5763166Swietemahalactone

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