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Bassianolide

CAT: 0024-sc-397290Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-397290Size:0.5 mg
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CAS Number
64763-82-2

Chemical Information

Bassianolide

Bassianolide is a cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Verticillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170. It has a role as an insecticide, an antineoplastic agent and a fungal metabolite. It is a cyclodepsipeptide and a cyclooctadepsipeptide.

CAS Number64763-82-2
PubChem CID89254632
IUPAC Name(3S,6R,9S,12R,15S,18R,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Molecular FormulaC48H84N4O12
Molecular Weight909.2
XLogP10.1
Topological Polar Surface Area186
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count64
Formal Charge0
Complexity1380
SMILES
CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C
InChI
InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1
InChIKey
QVZZPLDJERFENQ-NKTUOASPSA-N
Chemical Structure
2D Structure
2D structure of Bassianolide
CAS: 64763-82-2
CID: 89254632
Formula: C48H84N4O12
MW: 909.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight909.2
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass908.60857413
Monoisotopic Mass908.60857413
Topological Polar Surface Area186 Ų
Heavy Atom Count64
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P2087-01Bassianolide

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