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Okaramine D

CAT: 0013-GTR19228265-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228265-02Size:5 mg
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Description
Okaramine D (CAS 162413-54-9) is a fungal alkaloid used in life science research. It serves as a valuable tool compound for studying insecticidal and neuromodulatory activities in both in vitro biochemical assays and in vivo entomological studies.
CAS Number
162413-54-9
Smiles
CO[C@@H]1[C@@]2 (O) N (C (=O) \C3=C\c4c ([nH]c5ccccc45) C (C) (C) \C=C/N3C2=O) [C@]23[C@H] (CO) C (C) (C) N2c2ccccc2[C@]13O
Molecular Formula
C33H34N4O6
Molecular Weight
582.657
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Okaramine D

Okaramine D is a pyrroloindole.

CAS Number162413-54-9
PubChem CID101678965
IUPAC Name(1Z,4S,5R,14R,15S,16S,19Z)-14,16-dihydroxy-5-(hydroxymethyl)-15-methoxy-6,6,21,21-tetramethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
Molecular FormulaC33H34N4O6
Molecular Weight582.6
XLogP2.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count43
Formal Charge0
Complexity1330
SMILES
CC1(/C=C\N2/C(=C\C3=C1NC4=CC=CC=C43)/C(=O)N5[C@]67[C@@H](C(N6C8=CC=CC=C8[C@@]7([C@@H]([C@@]5(C2=O)O)OC)O)(C)C)CO)C
InChI
InChI=1S/C33H34N4O6/c1-29(2)14-15-35-23(16-19-18-10-6-8-12-21(18)34-25(19)29)26(39)37-32(42,28(35)40)27(43-5)31(41)20-11-7-9-13-22(20)36-30(3,4)24(17-38)33(31,36)37/h6-16,24,27,34,38,41-42H,17H2,1-5H3/b15-14-,23-16-/t24-,27+,31+,32+,33+/m1/s1
InChIKey
VIKRIYAAOWJXCT-ZLMSUABPSA-N
Chemical Structure
2D Structure
2D structure of Okaramine D
CAS: 162413-54-9
CID: 101678965
Formula: C33H34N4O6
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass582.24783482
Monoisotopic Mass582.24783482
Topological Polar Surface Area130 Ų
Heavy Atom Count43
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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