Tellimagrandin II

CAT: 0127-BUP24077-01Size: 1 mgDry Ice: NoHazardous: No

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CAS Number

81571-72-4

Synonyms

Eugeniin

Purity

≥98%

Smiles

O=C (OC1OC2COC (=O) C=3C=C (O) C (O) =C (O) C3C4=C (O) C (O) =C (O) C=C4C (=O) OC2C (OC (=O) C5=CC (O) =C (O) C (O) =C5) C1OC (=O) C6=CC (O) =C (O) C (O) =C6) C7=CC (O) =C (O) C (O) =C7

Chemical Information

Tellimagrandin Ii

Tellimagrandin II has been reported in Myrothamnus flabellifolia, Eucalyptus flocktoniae, and other organisms with data available.

CAS Number	81571-72-4
PubChem CID	151590
IUPAC Name	[3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
Molecular Formula	C41H30O26
Molecular Weight	938.7
XLogP	2.4
Topological Polar Surface Area	444
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	9
Heavy Atom Count	67
Formal Charge	0
Complexity	1770

SMILES

C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2

InChIKey

JCGHAEBIBSEQAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81571-72-4

CID: 151590

Formula: C41H30O26

MW: 938.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	938.7
XLogP3	2.4
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	9
Exact Mass	938.10253106
Monoisotopic Mass	938.10253106
Topological Polar Surface Area	444 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1770
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19188762-01	Tellimagrandin II
GTR19269240	Tellimagrandin I

Tellimagrandin II

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