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Tellimagrandin I

CAT: 1410-M39273-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Tellimagrandin I
CAS Number
79786-08-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
786.6
Molecular Formula
C34H26O22
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Tellimagrandin I

Tellimagrandin I has been reported in Euphorbia prostrata, Oenothera glazioviana, and other organisms with data available.

CAS Number79786-08-6
PubChem CID73179
IUPAC Name[(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC34H26O22
Molecular Weight786.6
XLogP0.9
Topological Polar Surface Area385
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count9
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@@H]([C@H](C=O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
InChI
InChI=1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2/t19-,20+,29-,30-/m1/s1
InChIKey
XUZYVFYOPRXTRB-GBJTXXJHSA-N
Chemical Structure
2D Structure
2D structure of Tellimagrandin I
CAS: 79786-08-6
CID: 73179
Formula: C34H26O22
MW: 786.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight786.6
XLogP30.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count9
Exact Mass786.09157245
Monoisotopic Mass786.09157245
Topological Polar Surface Area385 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
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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