Salvianan

CAT: 0926-MJB83246-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-MJB83246-02Size:50 mg

Selected

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

Quick Request Actions

CAS Number

862832-46-0

Smiles

CCN (CC) CC (=O) NC1=C (C=C (C=C1Cl) OC) Cl

Molecular Formula

C21H23NO2

Molecular Weight

321.40 g/mol

Controlled

Chemical Information

Salvianan

CAS Number	862832-46-0
PubChem CID	102004707
IUPAC Name	(5R)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
Molecular Formula	C21H23NO2
Molecular Weight	321.4
XLogP	6
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	24
Formal Charge	0
Complexity	506

SMILES

C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C

InChI

InChI=1S/C21H23NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)18-20(16(11)19)24-12(2)22-18/h7-8,11H,5-6,9-10H2,1-4H3/t11-/m0/s1

InChIKey

VGFRZPFHPPQFQG-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 862832-46-0

CID: 102004707

Formula: C21H23NO2

MW: 321.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.4
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	321.172878976
Monoisotopic Mass	321.172878976
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19220298-01	Salvianan A
MBS5801867	Salvianan