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Shiraiachrome A

CAT: 0931-T5525Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5525Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124709-39-3
Bioactivity
Shiraiachrome A is a natural product for research related to life sciences. The catalog number is T5525 and the CAS number is 124709-39-3.
Smiles
COC1=CC2=C3C(C1=O)c4c(O)cc(OC)c5C(=CC6=C(O)C(=O)C(=C(C(C(C)=O)C2(C)O)C3=C6c45)OC)OC
Molecular Formula
C30H26O10
Molecular Weight
546.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Shiraiachrome A

Shiraiachrome A has been reported in Shiraia bambusicola with data available.

CAS Number124709-39-3
PubChem CID3081233
IUPAC Name16-acetyl-12,13,17-trihydroxy-7,9,14,20-tetramethoxy-17-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,6,8,10,12,14,18(23),19-nonaene-5,21-dione
Molecular FormulaC30H26O10
Molecular Weight546.5
XLogP-1.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity1680
SMILES
CC(=O)C1C2=C(C(=C(C3=CC(=C4C(=CC(=O)C5=C4C3=C2C6=C(C1(C)O)C=C(C(=O)C65)OC)OC)OC)O)O)OC
InChI
InChI=1S/C30H26O10/c1-10(31)25-24-21-17-11(26(33)28(35)29(24)40-6)7-14(37-3)20-15(38-4)9-13(32)19(22(17)20)23-18(21)12(30(25,2)36)8-16(39-5)27(23)34/h7-9,23,25,33,35-36H,1-6H3
InChIKey
LJZXESCNYAMPIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Shiraiachrome A
CAS: 124709-39-3
CID: 3081233
Formula: C30H26O10
MW: 546.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.5
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass546.15259702
Monoisotopic Mass546.15259702
Topological Polar Surface Area149 Ų
Heavy Atom Count40
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19188339Shiraiachrome A

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