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Uvarigranol C

CAT: 0926-XGA10404-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-XGA10404-02Size:10 mg
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CAS Number
172104-04-0
Smiles
CCOC1C=CC (C (C1 (COC (=O) C2=CC=CC=C2) O) O) OC (=O) C3=CC=CC=C3
Molecular Formula
C23H24O7
Molecular Weight
412.4 g/mol
Controlled
No

Chemical Information

Uvarigranol C

Uvarigranol C has been reported in Uvaria grandiflora with data available.

CAS Number172104-04-0
PubChem CID24721471
IUPAC Name[(1R,2R,5S,6R)-5-benzoyloxy-2-ethoxy-1,6-dihydroxycyclohex-3-en-1-yl]methyl benzoate
Molecular FormulaC23H24O7
Molecular Weight412.4
XLogP2.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity607
SMILES
CCO[C@@H]1C=C[C@@H]([C@H]([C@@]1(COC(=O)C2=CC=CC=C2)O)O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H24O7/c1-2-28-19-14-13-18(30-22(26)17-11-7-4-8-12-17)20(24)23(19,27)15-29-21(25)16-9-5-3-6-10-16/h3-14,18-20,24,27H,2,15H2,1H3/t18-,19+,20+,23-/m0/s1
InChIKey
RDUAKQUSLVHHOC-VAWZGJIGSA-N
Chemical Structure
2D Structure
2D structure of Uvarigranol C
CAS: 172104-04-0
CID: 24721471
Formula: C23H24O7
MW: 412.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass412.15220310
Monoisotopic Mass412.15220310
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity607
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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