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Destruxin B 5mg

CAT: 0628-A18384-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18384-5Size:5 mg
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CAS Number
2503-26-6

Chemical Information

Destruxin B

destruxin b has been reported in Metarhizium indigoticum, Metarhizium anisopliae, and Alternaria brassicae with data available.

CAS Number2503-26-6
PubChem CID11124817
IUPAC Name(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Molecular FormulaC30H51N5O7
Molecular Weight593.8
XLogP2.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)C)C)C)C(C)C)C
InChI
InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t19-,20-,21-,22+,24-,25-/m0/s1
InChIKey
GNBHVMBELHWUIF-VTSYCQLTSA-N
Chemical Structure
2D Structure
2D structure of Destruxin B
CAS: 2503-26-6
CID: 11124817
Formula: C30H51N5O7
MW: 593.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.8
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass593.37884898
Monoisotopic Mass593.37884898
Topological Polar Surface Area145 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
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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