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Cercosporin

CAT: 0862-GA1747-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GA1747-1mgSize:1 mg
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CAS Number
35082-49-6
MDL Number
MFCD00212919
HS Code
29329900900
Purity
98.00%
Molecular Formula
C29H26O10
Molecular Weight
534.51
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo(1,12-def)(1,3)dioxepine-5,12-dione

LSM-1808 is a naphthalenone.

CAS Number35082-49-6
PubChem CID2674
IUPAC Name7,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
Molecular FormulaC29H26O10
Molecular Weight534.5
XLogP4
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity988
SMILES
CC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)CC(C)O)O
InChI
InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3
InChIKey
MXLWQNCWIIZUQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo(1,12-def)(1,3)dioxepine-5,12-dione
CAS: 35082-49-6
CID: 2674
Formula: C29H26O10
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass534.15259702
Monoisotopic Mass534.15259702
Topological Polar Surface Area152 Ų
Heavy Atom Count39
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TBI3447-1MGCercosporin, ROS-generating fungal toxin

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