6beta-Hydroxyipolamiide

CAT: 0931-TN3204Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN3204Size:5 mg

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CAS Number

87797-84-0

Target

Glucosidase, Others, glycosidase

Related Pathways

Metabolism, Others

Bioactivity

6beta-Hydroxyipolamiide is a natural product of Stachytarpheta, Verbenaceae. The catalog number is TN3204 and the CAS number is 87797-84-0. 6beta-Hydroxyipolamiide can be used as a reference standard.

Smiles

[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1(O)[C@H](O)C[C@]2(C)O |t:17|

Molecular Formula

C17H26O12

Molecular Weight

422.383

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6beta-Hydroxyipolamiide

methyl (1S,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylate has been reported in Phlomis rigida, Lamium amplexicaule, and Stachytarpheta mutabilis with data available.

CAS Number	87797-84-0
PubChem CID	14137128
IUPAC Name	methyl (1S,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Formula	C17H26O12
Molecular Weight	422.4
XLogP	-3.1
Topological Polar Surface Area	196
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	669

SMILES

C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

InChI

InChI=1S/C17H26O12/c1-16(24)3-8(19)17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12-,14+,15+,16+,17-/m1/s1

InChIKey

RRKJSAASNMDKLI-NZHINYMZSA-N

Chemical Structure

2D Structure

CAS: 87797-84-0

CID: 14137128

Formula: C17H26O12

MW: 422.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.4
XLogP3	-3.1
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	422.14242626
Monoisotopic Mass	422.14242626
Topological Polar Surface Area	196 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19182291	6beta-Hydroxyipolamiide
HY-N2703	6β-Hydroxyipolamiide
327479-01	PAR-6beta
TRC-H825375-50MG	6beta-Hydroxyfluoxymesterone
TRC-O849605-100MG	6beta-Oxycodol
TRC-H939820-10MG	6Beta-Hydroxylevonorgestrel
TRC-H952725-10MG	6beta-Hydroxyprednisone
TRC-H918450-5MG	6Beta-Hydroxycortisone
TRC-H942635-50MG	6beta-Hydroxygliclazide
TRC-H828200-10MG	6beta-Hydroxymethandrostenolone

6beta-Hydroxyipolamiide

Chemical Information

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