Alpha-Hederin

CAT: 0931-T3368-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T3368-01Size:1 mg

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CAS Number

27013-91-8

Target

Apoptosis

Related Pathways

Apoptosis

Purity

0.9989

Bioactivity

Alpha-Hederin (Tauroside E) is a water-soluble pentacyclic triterpenoid saponin found in the seeds of Nigella sativa, with hemolytic and apoptotic properties.

Smiles

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O

Molecular Formula

C41H66O12

Molecular Weight

750.96

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Alpha-Hederin

Kalopanaxsaponin A is a triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the stem bark of Kalopanax pictus. It has a role as an anti-inflammatory agent and a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid, a triterpenoid saponin and a disaccharide derivative. It is functionally related to a hederagenin.

CAS Number	27013-91-8
PubChem CID	73296
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula	C41H66O12
Molecular Weight	751.0
XLogP	3.6
Topological Polar Surface Area	196
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	53
Formal Charge	0
Complexity	1440

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O

InChI

InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1

InChIKey

KEOITPILCOILGM-LLJOFIFVSA-N

Chemical Structure

2D Structure

CAS: 27013-91-8

CID: 73296

Formula: C41H66O12

MW: 751.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	751.0
XLogP3	3.6
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	750.45542754
Monoisotopic Mass	750.45542754
Topological Polar Surface Area	196 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
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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Alternative Products

Catalog	Name
MBS3840465-01	alpha-Hederin
CS-O-10015	Alpha Hederin
A14614-5	Alpha-Hederin 5mg
A15399-20	Alpha-hederin 20mg
A15399-100	Alpha-hederin 100mg
A15399-50	Alpha-hederin 50mg
A15399-10	Alpha-hederin 10mg
HY-N0255R-01	Alpha-Hederin (Standard)
A14614-25	Alpha-Hederin 25mg
FH65830-01	α-Hederin

Alpha-Hederin

Chemical Information

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