Schisantherin E

CAT: 0926-PCA91783-03Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-PCA91783-03Size:50 mg

Selected

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

Quick Request Actions

CAS Number

64917-83-5

Smiles

CC1CC2=CC (=C (C (=C2C3=C (C (=C (C=C3C (C1 (C) O) OC (=O) C4=CC=CC=C4) OC) OC) OC) OC) OC) O

Molecular Formula

C30H34O9

Molecular Weight

538.59 g/mol

Controlled

Yes

Chemical Information

Schisantherin E

Schisantherin E has been reported in Schisandra sphenanthera and Schisandra rubriflora with data available.

CAS Number	64917-83-5
PubChem CID	13844274
IUPAC Name	[(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
Molecular Formula	C30H34O9
Molecular Weight	538.6
XLogP	4.8
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	803

SMILES

C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)O

InChI

InChI=1S/C30H34O9/c1-16-13-18-14-20(31)24(35-4)26(37-6)22(18)23-19(15-21(34-3)25(36-5)27(23)38-7)28(30(16,2)33)39-29(32)17-11-9-8-10-12-17/h8-12,14-16,28,31,33H,13H2,1-7H3/t16-,28-,30-/m0/s1

InChIKey

ZNXDFTKQSCEJGE-DSASHONVSA-N

Chemical Structure

2D Structure

CAS: 64917-83-5

CID: 13844274

Formula: C30H34O9

MW: 538.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	538.6
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	538.22028266
Monoisotopic Mass	538.22028266
Topological Polar Surface Area	113 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	803
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
PCA93851-01	Schisantherin C
PCA91782-01	Schisantherin D
FB64958-01	(E, E) -Bisdemethoxycurcumin
FD21756-01	E, E-Dienestrol
AAA46211-01	(E, E) Farnesoic acid
FP27067-01	(E, E) -Piperic acid
KAA48570-01	(E, E) Methyl farnesoate
QNA70135-01	(E, E) -Farnesyl thioacetate
PF16962-01	F-L-E-E-V
PP43404-01	F-L-E-E-V

Alternative Products

Catalog	Name
TRC-S199100-50MG	Schisantherin A

Schisantherin E

Chemical Information

Related Products

Alternative Products

Popular Products