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Ebenifoline E-II

CAT: 0926-IFA74016-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IFA74016-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133740-16-6
MDL Number
MFCD21363960
Smiles
C1=CC (=C (C=C1C2=NC=NC=C2) C (=O) O) Cl
Molecular Formula
C48H51NO18
Molecular Weight
929.90 g/mol
Controlled
No

Chemical Information

6-Benzoyl-6-deacetylmayteine

6-Benzoyl-6-deacetylmayteine has been reported in Euonymus laxiflorus with data available.

CAS Number133740-16-6
PubChem CID195749
IUPAC Name[18,21,22-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate
Molecular FormulaC48H51NO18
Molecular Weight929.9
XLogP3.8
Topological Polar Surface Area253
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count15
Heavy Atom Count67
Formal Charge0
Complexity1950
SMILES
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C
InChI
InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3
InChIKey
PYDAEIINPZJDBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Benzoyl-6-deacetylmayteine
CAS: 133740-16-6
CID: 195749
Formula: C48H51NO18
MW: 929.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight929.9
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count15
Exact Mass929.31061378
Monoisotopic Mass929.31061378
Topological Polar Surface Area253 Ų
Heavy Atom Count67
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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