Geissoschizine

CAT: 0931-TN7474-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN7474-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

439-66-7

Target

Others

Related Pathways

Others

Bioactivity

Geissoschizine is a natural product that can be used as a reference standard. The CAS number of Geissoschizine is 439-66-7.

Smiles

C(\C(OC)=O)(=C\O)/[C@H]/1C[C@]2(C3=C(C=4C(N3)=CC=CC4)CCN2C\C1=C\C)[H]

Molecular Formula

C21H24N2O4

Molecular Weight

368.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Methyl (alphaZ,2S,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-alpha-(hydroxymethylene)indolo(2,3-a)quinolizine-2-acetate

(19E)-geissoschizine is an indole alkaloid with formula C21H24N2O3. It is a biosynthetic precursor for a variety of monoterpenoid indole alkaloids. It has a role as a plant metabolite. It is a methyl ester, an enol, an organic heterotetracyclic compound and an indole alkaloid.

CAS Number	439-66-7
PubChem CID	10948159
IUPAC Name	methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate
Molecular Formula	C21H24N2O3
Molecular Weight	352.4
XLogP	3
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	614

SMILES

C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1/C(=C/O)/C(=O)OC)NC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16,19,22,24H,8-11H2,1-2H3/b13-3-,17-12-/t16-,19-/m0/s1

InChIKey

WKWHYFHGTWZCLM-KGZWXYIYSA-N

Chemical Structure

2D Structure

CAS: 439-66-7

CID: 10948159

Formula: C21H24N2O3

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	352.17869263
Monoisotopic Mass	352.17869263
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T72733-01	Geissoschizoline

Alternative Products

Catalog	Name
GTR19233194	Geissoschizine
HY-N2411-01	Geissoschizine methyl ether

Geissoschizine

Chemical Information

Related Products

Alternative Products

Popular Products