27-Deoxyactein | CAS No. 264624-38-6

27-Deoxyactein

Basic Information

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CAS Number

264624-38-6

Molecular Formula

C37H56O10

Molecular Weight

660.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

258-260 ºC

Solubility

Insuluble (7.9E-3 g/L) (25 ºC),

SMILES

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CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C

InChI

InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1

InChIKey

GCMGJWLOGKSUGX-RBKCHLQLSA-N

LogP

3.710200000000003

Topological Polar Surface Area

136.44000000000003 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1360

Safety Information

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Hazard Statement

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

2-8℃

Synonyms & References

English

26-deoxy-actein
CS-0032801
26-Deoxyactein
264624-38-6
HY-N6264
PD088460
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23S,24R,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOSTAN-3-YL
2D5AUV13AX
Q27138580
GCMGJWLOGKSUGX-RBKCHLQLSA-
DTXCID30103553
27-Deoxyactein
CHEBI:70242
[(1R,1'R,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
beta-d-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl
UNII-2D5AUV13AX
DTXSID20181062
MS-31017
AKOS037514979
J-016441
F82192
SCHEMBL564106
b-D-Xylopyranoside, (3b,12b,16b,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl
DEOXYACTEIN, 27-(23-EPI-26-DEOXYACTEIN)
b-D-Xylopyranoside, (3b,12b,16b,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cy...
Deoxyactein
DEOXYACTEIN, 27-(P)
DEOXYACTEIN, 27-(RG)
(3β,12β,16β,23S,24R,25R)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl-β-D-xylopyranoside
27-Deoxyacetylacetol-O-β-D-xylopyranoside
27-Deoxyacetein

MDL Number

MFCD07783721

FAQ

What are the physical and chemical properties of 27-Deoxyactein (CAS: 264624-38-6)?

27-Deoxyactein is a white crystalline powder with a molecular weight of approximately 318.3 g/mol. It is sparingly soluble in water but more soluble in organic solvents like methanol and ethanol. Chemically, it is stable under acidic conditions but can react with bases.

How is 27-Deoxyactein (CAS: 264624-38-6) typically synthesized?

27-Deoxyactein is typically synthesized via the reduction of actein with sodium borohydride. The reaction yields a high selectivity for the deoxy product with a good overall yield. Detailed synthesis protocols can be found in the literature.

What industries use 27-Deoxyactein (CAS: 264624-38-6)?

27-Deoxyactein finds applications in the pharmaceutical industry as a potential drug candidate. It is also used in the sensor industry due to its reactivity with certain analytes.

What precautions should be taken when handling 27-Deoxyactein (CAS: 264624-38-6)?

When handling 27-Deoxyactein, it is important to use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Store it in a cool, dry place away from direct sunlight. In case of spill, use appropriate spill kits and handle according to the Safety Data Sheet (SDS).