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Dermocanarin 1

CAT: 0013-GTR19255274-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255274-02Size:10 mg
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Description
Dermocanarin 1 is produced by the Dermocybe canaria strain.
CAS Number
129656-55-9
Smiles
O (C) C1=C2C (=C3C (=C1) C (=O) C=4C (C3=O) =C (O) C=C (C) C4) OC (=O) CC (C) (O) CC=5C2=C (O) C=6C (C5) =CC (OC) =CC6OC
Molecular Formula
C33H28O10
Molecular Weight
584.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dermocanarin I

Dermocanarin I is an anthraquinone.

CAS Number129656-55-9
PubChem CID14605232
IUPAC Name3,13,21-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2,4,6,8,10,17,20(25),21,23,27-undecaene-15,19,26-trione
Molecular FormulaC33H28O10
Molecular Weight584.6
XLogP5.1
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity1100
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C(C=C3C2=O)OC)C5=C(C6=C(C=C(C=C6C=C5CC(CC(=O)O4)(C)O)OC)OC)O
InChI
InChI=1S/C33H28O10/c1-14-6-18-26(20(34)7-14)31(38)27-19(29(18)36)11-22(42-5)28-25-16(12-33(2,39)13-23(35)43-32(27)28)8-15-9-17(40-3)10-21(41-4)24(15)30(25)37/h6-11,34,37,39H,12-13H2,1-5H3
InChIKey
GMHTVISKDLAFHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dermocanarin I
CAS: 129656-55-9
CID: 14605232
Formula: C33H28O10
MW: 584.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass584.16824709
Monoisotopic Mass584.16824709
Topological Polar Surface Area149 Ų
Heavy Atom Count43
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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