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Mulberrofuran G

CAT: 1407-AB2042Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2042Size:5 mg
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CAS Number
87085-00-5
Purity
95% (HPLC)
Molecular Formula
C34H26O8
Molecular Weight
562.57

Chemical Information

Mulberrofuran G

Albanol A is an organic heteropentacyclic compound and a member of 1-benzofurans.

CAS Number87085-00-5
PubChem CID9959532
IUPAC Name(1S,9R,13R,21S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
Molecular FormulaC34H26O8
Molecular Weight562.6
XLogP6
Topological Polar Surface Area133
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC1=C[C@@H]2[C@@H]3[C@@H](C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O
InChI
InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1
InChIKey
MJJWBJFYYRAYKU-OPKNDJPNSA-N
Chemical Structure
2D Structure
2D structure of Mulberrofuran G
CAS: 87085-00-5
CID: 9959532
Formula: C34H26O8
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP36
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass562.16276778
Monoisotopic Mass562.16276778
Topological Polar Surface Area133 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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