2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Basic Information

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CAS Number

51542-56-4

Molecular Formula

C48H82O18

Molecular Weight

947.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

1011.8°C at 760 mmHg

Density

1.38

Flash Point

565.7°C

Refractive Index

1.61

SMILES

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CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O

InChI

InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1

InChIKey

PWAOOJDMFUQOKB-WCZZMFLVSA-N

LogP

-0.02839999999999454

Topological Polar Surface Area

298.14 Å²

Hydrogen Bond Donor/Acceptor

12 / 18

Complexity

1700

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

Chikusetsusaponin IVc
SY076028
NSC308877
6-{[2-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl hexopyranoside
FT-0689369
2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
LS-15487
51542-56-4
GinsenosideRe
DTXSID30965870
Panax saponin C (9CI)
Ginsenoside Re
ginsinosideRe
Ginsenoside Re
GINSENOSIDE
GINSENOSIDE GINSENOSIDE-RE
Ginsenoside Re (# )
ginsenoside-re from panax quinquefolium (american ginseng)root
Panax saponin C
Panaxoside RE
Ginsenoside B2
ginsenoside-Re
46F3R0BL3I
(20S)-ginsenoside Re
PWAOOJDMFUQOKB-WCZZMFLVSA-N
BDBM50378779

MDL Number

MFCD00133369

Customs Code

29389090

FAQ

What is 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 51542-56-4)?

This compound is a complex organic molecule with a unique structure that includes multiple hydroxyl groups, methyl groups, and a specific cyclic structure. It is a research chemical with potential applications in pharmaceuticals and drug discovery.

What are the main uses of 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 51542-56-4)?

The compound is primarily used in the development of new drugs and as a tool for exploring the mechanisms of action of various biological processes. It also has potential as a component in customized medication formulations.

Is 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 51542-56-4) safe?

This compound is generally safe when handled with appropriate precautions. It is important to follow all safety guidelines, including wearing protective equipment and ensuring proper ventilation. Storage and disposal should be carried out in accordance with regulatory requirements.

How should 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 51542-56-4) be stored?

The compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Refrigeration may be necessary if the compound is unstable at room temperature. Follow all local regulations for the proper disposal of the compound.