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Epiguajadial B

CAT: 0804-HY-N3830Size: 1 EachDry Ice: NoHazardous: No
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Description
Epiguajadial B is a Sesquiterpenoids product that can be isolated from the herbs of Psidium guajava[1].
CAS Number
1411629-26-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epiguajadial-b.html
Smiles
OC1=C2[C@@H](C3=CC=CC=C3)[C@]4([H])[C@](C)(C/C=C/C(C)(C)C/C=C(C)\CC4)OC2=C(C=O)C(O)=C1C=O
Molecular Formula
C30H34O5
Molecular Weight
474.59
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

CID 125128169
CAS Number1411629-26-9
PubChem CID125128169
IUPAC Name(1R,4Z,8Z,11S,19R)-15,17-dihydroxy-4,7,7,11-tetramethyl-19-phenyl-12-oxatricyclo[9.8.0.013,18]nonadeca-4,8,13,15,17-pentaene-14,16-dicarbaldehyde
Molecular FormulaC30H34O5
Molecular Weight474.6
XLogP6.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity825
SMILES
C/C/1=C/CC(/C=C\C[C@]2([C@H](CC1)[C@@H](C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)C4=CC=CC=C4)C)(C)C
InChI
InChI=1S/C30H34O5/c1-19-11-12-23-24(20-9-6-5-7-10-20)25-27(34)21(17-31)26(33)22(18-32)28(25)35-30(23,4)15-8-14-29(2,3)16-13-19/h5-10,13-14,17-18,23-24,33-34H,11-12,15-16H2,1-4H3/b14-8-,19-13-/t23-,24+,30+/m1/s1
InChIKey
SCJBVAONMYLOHE-IVEIYSBKSA-N
Chemical Structure
2D Structure
2D structure of CID 125128169
CAS: 1411629-26-9
CID: 125128169
Formula: C30H34O5
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP36.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass474.24062418
Monoisotopic Mass474.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TN3969Epiguajadial B

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