Interiotherin D

CAT: 0931-T82061-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T82061-02Size:50 mg

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CAS Number

460090-66-8

Bioactivity

Interiotherin D, a lignan, can be isolated from Kadsura interior [1].

Smiles

O=C1[C@]23C4=C([C@H](OC(/C(=C\C)/C)=O)[C@H](C)[C@H](C)C=C2C=C(OC)C1=O)C=C5C(=C4OC3)OCO5

Molecular Formula

C26H26O8

Molecular Weight

466.48

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Interiotherin D

Interiotherin D has been reported in Kadsura interior and Kadsura heteroclita with data available.

CAS Number	460090-66-8
PubChem CID	10050185
IUPAC Name	[(1S,12R,13R,14R,15Z)-18-methoxy-13,14-dimethyl-19,20-dioxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,15,17-pentaen-12-yl] (Z)-2-methylbut-2-enoate
Molecular Formula	C26H26O8
Molecular Weight	466.5
XLogP	3.5
Topological Polar Surface Area	97.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	1010

SMILES

C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@@H](/C=C\2/C=C(C(=O)C(=O)[C@@]23COC4=C3C1=CC5=C4OCO5)OC)C)C

InChI

InChI=1S/C26H26O8/c1-6-12(2)25(29)34-21-14(4)13(3)7-15-8-17(30-5)20(27)24(28)26(15)10-31-23-19(26)16(21)9-18-22(23)33-11-32-18/h6-9,13-14,21H,10-11H2,1-5H3/b12-6-,15-7-/t13-,14-,21-,26+/m1/s1

InChIKey

PFTANZOUWVSEQC-ZEZBFVHVSA-N

Chemical Structure

2D Structure

CAS: 460090-66-8

CID: 10050185

Formula: C26H26O8

MW: 466.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	466.5
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	466.16276778
Monoisotopic Mass	466.16276778
Topological Polar Surface Area	97.4 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
380496	Interiotherin A
MBS5787175	Interiotherin C
MBS5823713	Interiotherin D

Interiotherin D

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