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Guajadial D

CAT: 0804-HY-133219ASize: 1 EachDry Ice: NoHazardous: No
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Description
Guajadial D is a Sesquiterpenoids product that can be isolated from the leaves of Psidium guajava.[1].
CAS Number
1529775-04-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/guajadial-d.html
Smiles
O=CC1=C(O)C(C=O)=C2C([C@H](C3=CC=CC=C3)C[C@@]4(C=C5[C@H](C(C)C)CC[C@@H](C)[C@@]5([H])CC4)O2)=C1O
Molecular Formula
C30H34O5
Molecular Weight
474.59
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5',7'-dihydroxy-4-methyl-4'-phenyl-1-propan-2-ylspiro[2,3,4,4a,5,6-hexahydro-1H-naphthalene-7,2'-3,4-dihydrochromene]-6',8'-dicarbaldehyde
CAS Number1529775-04-9
PubChem CID155886564
IUPAC Name5',7'-dihydroxy-4-methyl-4'-phenyl-1-propan-2-ylspiro[2,3,4,4a,5,6-hexahydro-1H-naphthalene-7,2'-3,4-dihydrochromene]-6',8'-dicarbaldehyde
Molecular FormulaC30H34O5
Molecular Weight474.6
XLogP6.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity816
SMILES
CC1CCC(C2=CC3(CCC12)CC(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)C5=CC=CC=C5)C(C)C
InChI
InChI=1S/C30H34O5/c1-17(2)20-10-9-18(3)21-11-12-30(14-23(20)21)13-22(19-7-5-4-6-8-19)26-28(34)24(15-31)27(33)25(16-32)29(26)35-30/h4-8,14-18,20-22,33-34H,9-13H2,1-3H3
InChIKey
FKDKMNYVVXIPCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5',7'-dihydroxy-4-methyl-4'-phenyl-1-propan-2-ylspiro[2,3,4,4a,5,6-hexahydro-1H-naphthalene-7,2'-3,4-dihydrochromene]-6',8'-dicarbaldehyde
CAS: 1529775-04-9
CID: 155886564
Formula: C30H34O5
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP36.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass474.24062418
Monoisotopic Mass474.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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