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Evorine

CAT: 0013-GTR19231645-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231645-01Size:1 mg
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Description
Evorine (CAS 33540-08-8) is a natural product suitable for use as an analytical reference standard. It is utilized in biochemical research for in vitro studies, particularly in the investigation of biological activities and metabolic pathways.
CAS Number
33540-08-8
Smiles
C[C@H]1[C@H] (C) C (=O) O[C@H]2[C@H] (OC (C) =O) [C@H] (OC (C) =O) [C@@]3 (COC (C) =O) [C@H] (OC (C) =O) C (=O) [C@@H]4[C@@H] (O) [C@]3 (O[C@@]4 (C) COC (=O) c3cccnc13) [C@@]2 (C) O
Molecular Formula
C34H41NO16
Molecular Weight
719.693
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoevorine

(all-ξ)-O6-deacetylevonine has been reported in Euonymus alatus and Euonymus europaeus with data available.

CAS Number33540-08-8
PubChem CID538903
IUPAC Name(18,19,21-triacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl)methyl acetate
Molecular FormulaC34H41NO16
Molecular Weight719.7
XLogP-0.5
Topological Polar Surface Area237
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count51
Formal Charge0
Complexity1500
SMILES
CC1C(C(=O)OC2C(C(C3(C(C(=O)C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C34H41NO16/c1-14-15(2)29(42)50-27-24(47-17(4)37)28(49-19(6)39)33(13-45-16(3)36)26(48-18(5)38)23(40)21-25(41)34(33,32(27,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,24-28,41,44H,12-13H2,1-8H3
InChIKey
GARAEILXWIXANX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoevorine
CAS: 33540-08-8
CID: 538903
Formula: C34H41NO16
MW: 719.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.7
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass719.24253422
Monoisotopic Mass719.24253422
Topological Polar Surface Area237 Ų
Heavy Atom Count51
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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