Interiorin D

CAT: 0804-HY-N11951-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N11951-02Size:5 mg

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Description

Interiorin D is a natural product[1].

CAS Number

133360-40-4

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/interiorin-d.html

Solubility

10 mM in DMSO

Smiles

O=C(C1=CC=CC=C1)OC2C3=CC4=C(C5=C3C6(C(OC)=C(C(C=C6CC(C2C)C)=O)OC)CO5)OCO4

Molecular Formula

C29H28O8

Molecular Weight

504.53

References & Citations

[1]Dou XX, et al. Systematic characterization of the chemical constituents in vitro and prototypes in vivo of Dingkun Dan using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with the UNIFI™ software. Biomed Chromatogr.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Interiorin D

CAS Number	133360-40-4
PubChem CID	14755545
IUPAC Name	(19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) benzoate
Molecular Formula	C29H28O8
Molecular Weight	504.5
XLogP	4.5
Topological Polar Surface Area	89.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	996

SMILES

CC1CC2=CC(=O)C(=C(C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C6=CC=CC=C6)OC)OC

InChI

InChI=1S/C29H28O8/c1-15-10-18-11-20(30)24(32-3)27(33-4)29(18)13-34-26-22(29)19(12-21-25(26)36-14-35-21)23(16(15)2)37-28(31)17-8-6-5-7-9-17/h5-9,11-12,15-16,23H,10,13-14H2,1-4H3

InChIKey

CDTXQJPXMUPNAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133360-40-4

CID: 14755545

Formula: C29H28O8

MW: 504.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	504.5
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	504.17841785
Monoisotopic Mass	504.17841785
Topological Polar Surface Area	89.5 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	996
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T79956-01	Interiorin
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Interiorin D

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