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Angeloylgomisin H

CAT: 1407-AB0418Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0418Size:20 mg
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CAS Number
66056-22-2
Purity
98% (HPLC)
Molecular Formula
C28H36O8
Molecular Weight
500.588

Chemical Information

Angeloylgomisin H

Angeloylgomisin h is a tannin.

CAS Number66056-22-2
PubChem CID26204131
IUPAC Name[(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
Molecular FormulaC28H36O8
Molecular Weight500.6
XLogP5
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity771
SMILES
C/C=C(/C)\C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H]([C@@](CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C
InChI
InChI=1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9H3/b15-10-/t16-,28-/m0/s1
InChIKey
ZSAUXCVJDYCLRS-XSIRQHFTSA-N
Chemical Structure
2D Structure
2D structure of Angeloylgomisin H
CAS: 66056-22-2
CID: 26204131
Formula: C28H36O8
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass500.24101810
Monoisotopic Mass500.24101810
Topological Polar Surface Area92.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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