Schisandrin C

CAT: 0127-BUP00081-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00081-01Size:5 mg

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CAS Number

61301-33-5

Synonyms

Schizandrin-C, Wuweizisu-C

Purity

=98%

Smiles

COc1c2OCOc2cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c12

Chemical Information

Schisandrin C

Wuweizisu C is a tannin.

CAS Number	61301-33-5
PubChem CID	443027
IUPAC Name	(12R,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene
Molecular Formula	C22H24O6
Molecular Weight	384.4
XLogP	5
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	509

SMILES

C[C@@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C[C@@H]1C)OCO5)OC)OC)OCO3

InChI

InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+

InChIKey

HTBWBWWADZJXID-TXEJJXNPSA-N

Chemical Structure

2D Structure

CAS: 61301-33-5

CID: 443027

Formula: C22H24O6

MW: 384.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.4
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	384.15728848
Monoisotopic Mass	384.15728848
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	509
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes