Rivasterat

CAT: 0931-T201009-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T201009-02Size:25 mg

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CAS Number

2446590-96-9

Target

Others

Related Pathways

Others

Bioactivity

Rivasterat is a cholesterol-derived steroid known for its anti-inflammatory properties.

Smiles

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)C=C5)CC4)(CC1)[H])[H])(CC[C@@H]2\C(=C\CCCC(OC)=O)\C)[H]

Molecular Formula

C37H54O8

Molecular Weight

626.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rivasterat

Rivasterat is a small molecule drug. Rivasterat has a monoisotopic molecular weight of 626.38 Da.

CAS Number	2446590-96-9
PubChem CID	156754687
IUPAC Name	methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S,6S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate
Molecular Formula	C37H54O8
Molecular Weight	626.8
XLogP	7
Topological Polar Surface Area	97.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	45
Formal Charge	0
Complexity	1200

SMILES

C/C(=C\CCCC(=O)OC)/[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@@H]5C=C[C@@H]([C@H](O5)COC(=O)C)OC(=O)C)C)C

InChI

InChI=1S/C37H54O8/c1-23(9-7-8-10-34(40)41-6)29-13-14-30-28-12-11-26-21-27(17-19-36(26,4)31(28)18-20-37(29,30)5)44-35-16-15-32(43-25(3)39)33(45-35)22-42-24(2)38/h9,11,15-16,27-33,35H,7-8,10,12-14,17-22H2,1-6H3/b23-9+/t27-,28-,29+,30-,31-,32-,33+,35-,36-,37+/m0/s1

InChIKey

HYMSACOZWCUWKA-YKDDYUEBSA-N

Chemical Structure

2D Structure

CAS: 2446590-96-9

CID: 156754687

Formula: C37H54O8

MW: 626.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	626.8
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	626.38186868
Monoisotopic Mass	626.38186868
Topological Polar Surface Area	97.4 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19239785-01	Rivasterat

Rivasterat

Chemical Information

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