Stemoninine

CAT: 1596-AR-S10819-04Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-S10819-04Size:100 Units

Selected

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

Quick Request Actions

CAS Number

69772-72-1

Molecular Formula

C22H31NO5

Molecular Weight

389.49

API Name

Stemoninine

Chemical Information

Stemonine

Stemonine has been reported in Stemona japonica and Stemona pierrei with data available.

CAS Number	69772-72-1
PubChem CID	155331
IUPAC Name	3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one
Molecular Formula	C22H31NO5
Molecular Weight	389.5
XLogP	3.4
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	720

SMILES

CCC1C2C3CCC(N3CCCC2OC14C=C(C(=O)O4)C)C5CC(C(=O)O5)C

InChI

InChI=1S/C22H31NO5/c1-4-14-19-16-8-7-15(18-10-12(2)20(24)26-18)23(16)9-5-6-17(19)27-22(14)11-13(3)21(25)28-22/h11-12,14-19H,4-10H2,1-3H3

InChIKey

UINUUSQOLRQGNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69772-72-1

CID: 155331

Formula: C22H31NO5

MW: 389.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.5
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	389.22022309
Monoisotopic Mass	389.22022309
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	720
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-134006-01	Stemoninine