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Beauveriolide III

CAT: 0543-B092-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0543-B092-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221111-70-2
Applications
Microbiology.
Purity
>95% (HPLC)
Molecular Formula
C27H41N3O5
Molecular Weight
487.63
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

beauveriolide III

Beauveriolide III is a cyclodepsipeptide.

CAS Number221111-70-2
PubChem CID10576939
IUPAC Name(3R,6S,9S,13S)-9-benzyl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Molecular FormulaC27H41N3O5
Molecular Weight487.6
XLogP4.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity722
SMILES
CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)[C@H](C)CC)C)CC2=CC=CC=C2
InChI
InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18+,19+,21+,22+,24-/m1/s1
InChIKey
VEELKRGSLCNVAR-GXBUOAPDSA-N
Chemical Structure
2D Structure
2D structure of beauveriolide III
CAS: 221111-70-2
CID: 10576939
Formula: C27H41N3O5
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass487.30462142
Monoisotopic Mass487.30462142
Topological Polar Surface Area114 Ų
Heavy Atom Count35
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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