Ponasteroside A

CAT: 0931-TN7770-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN7770-02Size:50 mg

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CAS Number

20117-33-3

Bioactivity

Ponasteroside A, a phytoecdysteroid, is isolated from the rhizomes of Brainea insignis [1].

Smiles

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)C)O)(C)O)(CC2)[H])[H]

Molecular Formula

C33H54O11

Molecular Weight

626.78

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2beta,3beta,5beta,22R)-3-(beta-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one

Ponasteroside A is a steroid saponin.

CAS Number	20117-33-3
PubChem CID	12314455
IUPAC Name	(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Formula	C33H54O11
Molecular Weight	626.8
XLogP	0.3
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	44
Formal Charge	0
Complexity	1110

SMILES

CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)O)O)O

InChI

InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3/t17-,19-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+/m0/s1

InChIKey

CNAKQRUFJWYXIC-PPOCGGKUSA-N

Chemical Structure

2D Structure

CAS: 20117-33-3

CID: 12314455

Formula: C33H54O11

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	0.3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	626.36661253
Monoisotopic Mass	626.36661253
Topological Polar Surface Area	197 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1110
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
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
HY-N12505-01	Ponasteroside A

Ponasteroside A

Chemical Information

Alternative Products

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