7-Xylosyl-10-deacetyltaxol B

Basic Information

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CAS Number

90332-64-2

Molecular Formula

C48H59NO17

Molecular Weight

921.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Density

1.43±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.1E-3 g/L) (25 ºC),

SMILES

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CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O

InChI

InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29-,30-,31+,33-,34-,35+,36+,37+,38-,40-,44-,46+,47-,48+/m0/s1

InChIKey

YAOWLIDDDUBAEI-LWKZJDLTSA-N

LogP

1.280600000000002

Topological Polar Surface Area

274.13999999999993 Å²

Hydrogen Bond Donor/Acceptor

7 / 18

Complexity

1940

Synonyms & References

English

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-6,11-dihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
7-Xylosyl-10-deacetyltaxol B
10-Deacetyl-7-xylosyltaxol B
10-Deacetylcephalomannine 7-xyloside
7-Xylosyl-10-deacetylcephalomannine
[ "7-Xylosyl-10-deacetylcephalomannine" ]
(2α,5β,7β,10β,13α)-4-Acetoxy-1,10-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amin
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9a[αR*,βS*(E)],11α,12α,12aα,12bα]]- (ZCI)
Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- (9CI)
10-Deacetyl-7-xylosylcephalomannine
7-β-Xylosyl-10-deacetylcephalomannine
CHEMBL3398370
DTXSID601309623
AKOS040760248
HY-N7776
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CS-0137310
YAOWLIDDDUBAEI-ZVZSAYPQSA-N
90332-64-2
DA-49990
7-xylosyl-10-deacetyl-taxol B
DEACETYL-7-XYLOSYLCEPHALOMANNINE, 10-(RG)

FAQ

What is 7-Xylosyl-10-deacetyltaxol B (CAS: 90332-64-2)?

7-Xylosyl-10-deacetyltaxol B is a semi-synthetic derivative of taxol with a unique chemical structure. It contains the xylosyl group attached to the 7-position and lacks the acetyl group at the 10-position. This compound shows potential for anticancer activity and is used in research and drug development.

What are the main uses of 7-Xylosyl-10-deacetyltaxol B (CAS: 90332-64-2)?

7-Xylosyl-10-deacetyltaxol B is primarily used in research for studying taxol derivatives and their anticancer properties. It may also have potential applications in developing new anti-cancer drugs, but further studies are needed to confirm its therapeutic value.

Is 7-Xylosyl-10-deacetyltaxol B (CAS: 90332-64-2) safe?

7-Xylosyl-10-deacetyltaxol B is generally considered safe when handled properly. However, it is important to follow safety guidelines, including wearing appropriate protective gear and avoiding contact with skin and eyes. Safe storage and disposal procedures should also be followed to prevent environmental contamination.

How should 7-Xylosyl-10-deacetyltaxol B (CAS: 90332-64-2) be stored?

7-Xylosyl-10-deacetyltaxol B should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep the compound in a well-sealed container to prevent degradation. Refrigeration may be necessary if prolonged storage is required. Always consult the Material Safety Data Sheet (MSDS) for specific storage recommendations.