Proscillaridin A

CAT: 0926-MP45299-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-MP45299-02Size:100 mg

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CAS Number

466-06-8

Synonyms

Scillarenin 3b-rhamnoside;3- (6-Deoxy-a-L-mannopyranosyloxyl) -14-hydroxybufa-4,20,22-trienolide

Smiles

C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@H]2CC[C@@]3 ([C@H]4CC[C@@]5 ([C@H] (CC[C@@]5 ([C@@H]4CCC3=C2) O) C6=COC (=O) C=C6) C) C) O) O) O

Molecular Formula

C30H42O8

Molecular Weight

530.65 g/mol

Controlled

Chemical Information

Proscillaridin

Proscillaridin is an organic molecular entity.

CAS Number	466-06-8
PubChem CID	5284613
IUPAC Name	5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Formula	C30H42O8
Molecular Weight	530.6
XLogP	1.9
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	38
Formal Charge	0
Complexity	1070

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O

InChI

InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1

InChIKey

MYEJFUXQJGHEQK-ALRJYLEOSA-N

Chemical Structure

2D Structure

CAS: 466-06-8

CID: 5284613

Formula: C30H42O8

MW: 530.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	530.6
XLogP3	1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	530.28796829
Monoisotopic Mass	530.28796829
Topological Polar Surface Area	126 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3614043-01	Proscillaridin A
561872	Proscillaridin
A13852-10	Proscillaridin A 10mg
A13852-5	Proscillaridin A 5mg
A13852-25	Proscillaridin A 25mg
HY-N2331R	Proscillaridin A (Standard)
A13852-100	Proscillaridin A 100mg
A13852-50	Proscillaridin A 50mg
463125-01	Proscillaridin A discontinued. See 294504

Proscillaridin A

Chemical Information

Alternative Products

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