alpha-Hederin | CAS No. 27013-91-8

alpha-Hederin

Basic Information

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CAS Number

27013-91-8

Molecular Formula

C41H66O12

Molecular Weight

750.97 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

215°C (dec.)

Boiling Point

849.6℃ at 760 mmHg

Solubility

Methanol,Ethanol,DMSO

Specific Rotation

D20 +14.5° (c = 0.92 in methanol)

SMILES

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O=C([C@]12CCC(C)(C)C[C@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@@H](O)CO6)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC2)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-MTVILUOYSA-N

LogP

3.5211000000000015

Topological Polar Surface Area

195.6 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

1440

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

ALPHA-HEDERIN
SAPINDOSIDE A
HEDERIN
HELIXIN
HEDERIN, ALPHA-
(3-beta,4-alpha)-nopyranosyl)oxy)-23-hydroxy
akebiasaponinpd
akebosidestc
alpha-hederine
glycosidel-e1
HEDERIN, ALPHA-(P) PrintBack
Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-23-hydr...
α-Hederin
A-HEDERIN
dipsacobioside
Hederoside B
hederosidec
koronaroside A
nepalin2
taurosidee
(3β,4α)-3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid
[ "" ]
CID 121241172
.alpha.-Hederin
NSC106553
STL454351
NCI60_000155
3-{[2-O-(6-Deoxyhexopyranosyl)pentopyr
alpha-Hederin
α-Hederin,(+)-Dipsacobioside,Akebia saponin PD,Akeboside Stc,Cephalaroside C,Dipsacobioside,Dipsacos...
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4,5-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

MDL Number

MFCD00010665

FAQ

What is alpha-Hederin (CAS: 27013-91-8)?

Alpha-Hederin, with the CAS number 27013-91-8, is a saponin compound derived from the seeds of the plant *Solanum nigrum*. It has the chemical formula C27H46O13 and is known for its diverse biological activities, including anti-inflammatory, antidiabetic, and antioxidant properties. This compound is commonly found in natural extracts and is used in various scientific studies for its potential therapeutic applications.

What are the main uses of alpha-Hederin (CAS: 27013-91-8)?

Alpha-Hederin is primarily used in pharmaceutical research for its anti-inflammatory and antidiabetic effects. It also finds applications in natural product studies, cosmetic formulations, and as a potential therapeutic agent in drug development. Due to its antioxidant properties, it may be used in food supplements and industrial processes aimed at preserving quality and extending shelf life.

Is alpha-Hederin (CAS: 27013-91-8) safe?

Alpha-Hederin is generally considered safe when used in appropriate concentrations and under controlled conditions. However, as with many saponins, it may cause mild irritation if ingested in large quantities or applied directly to the skin. Safety standards recommend handling with gloves and proper ventilation to minimize exposure. Always follow guidelines for safe use in research and industrial settings.

How should alpha-Hederin (CAS: 27013-91-8) be stored?

Alpha-Hederin should be stored in a cool, dry place away from direct light. It is recommended to keep it in a sealed, airtight container at a temperature below 25°C and humidity levels below 60%. Proper storage ensures stability and prevents degradation, maintaining its efficacy and safety for use in research and pharmaceutical applications.