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Arisanschinin M

CAT: 0013-GTR19266021-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266021-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Arisanschinin M is a natural lignan suitable for biochemical experiments and drug synthesis research.
CAS Number
1420217-14-6
Purity
99.70% (May vary between batches)
Smiles
O=C1OC2C=3C=C (OC) C (OC) =C (OC) C3C4=C (OC1 (C) C (C) CO) C=5OCOC5C=C4CC (C) C2C
Molecular Formula
C28H34O9
Molecular Weight
514.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

10-(1-Hydroxypropan-2-yl)-16,17,18-trimethoxy-10,22,23-trimethyl-4,6,9,12-tetraoxapentacyclo[11.7.3.03,7.08,20.014,19]tricosa-1,3(7),8(20),14,16,18-hexaen-11-one
CAS Number1420217-14-6
PubChem CID78096792
IUPAC Name10-(1-hydroxypropan-2-yl)-16,17,18-trimethoxy-10,22,23-trimethyl-4,6,9,12-tetraoxapentacyclo[11.7.3.03,7.08,20.014,19]tricosa-1,3(7),8(20),14,16,18-hexaen-11-one
Molecular FormulaC28H34O9
Molecular Weight514.6
XLogP4.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity823
SMILES
CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1C)OC(=O)C(O4)(C)C(C)CO)OC)OC)OC)OCO3
InChI
InChI=1S/C28H34O9/c1-13-8-16-9-19-24(35-12-34-19)26-20(16)21-17(10-18(31-5)23(32-6)25(21)33-7)22(15(13)3)36-27(30)28(4,37-26)14(2)11-29/h9-10,13-15,22,29H,8,11-12H2,1-7H3
InChIKey
GHEBHJULQBRZNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-(1-Hydroxypropan-2-yl)-16,17,18-trimethoxy-10,22,23-trimethyl-4,6,9,12-tetraoxapentacyclo[11.7.3.03,7.08,20.014,19]tricosa-1,3(7),8(20),14,16,18-hexaen-11-one
CAS: 1420217-14-6
CID: 78096792
Formula: C28H34O9
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass514.22028266
Monoisotopic Mass514.22028266
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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